Naphthalene

Naphthalene

SCHEMBL6705963

C.Cl.c1ccc2ccccc2c1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.42
▸ GLA known ✓ P06280 1/20 0.39
▸ ACHE known ✓ P22303 1/20 0.39
▸ CYP2A6 P11509 7/20 0.80
▸ ALOX12 P18054 1/20 0.80
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Naphthalene SCHEMBL594460 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL29450562 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL9318031 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL8525098 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL28744334 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL5950127 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL49569 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL11063170 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL5950130 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR
Naphthalene SCHEMBL27529555 0.95 CYP2A6 (0.89) CYP2A6ALOX12ALDH1A1HSD17B10TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147664-A1 Overcoat layer composition and organic photoreceptor using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-07-29 — — US disclosed
US-20040143056-A1 Overcoating composition and organic photoreceptor using the same SAMSUNG ELECTRONICS CO., LTD (KR) 2004-07-22 — — US disclosed
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