SCHEMBL31357468

SCHEMBL31357468

CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=Nc3ccc([O-])c(C(=O)O)c3)c(C)c2)cc1C.[Na+].[Na+]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
▸ THRB known ✓ P10828 1/20 0.34
▸ MEN1 O00255 12/20 0.45
▸ KMT2A Q03164 12/20 0.45
▸ MAPT P10636 10/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPC1 O15118 4/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ PTPN1 P18031 2/20 0.37

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
SCHEMBL26459332 0.85 PHLPP2 (0.49) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL30371753 0.73 KMT2A (0.53) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL342266 0.73 MAPT (0.75) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL31152951 0.73 MEN1 (0.79) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL2871328 0.72 SMN1; SMN2 (0.49) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL2865716 0.72 MAPT (0.36) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL29384749 0.71 ENPP2 (0.52) MEN1KMT2AMAPTCYP1A2SMN1; SMN2
SCHEMBL12960453 0.70 KMT2A (0.58) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL29481943 0.70 PHLPP2 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL30571036 0.70 PHLPP2 (0.55) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341684-B Retardation plate, circularly polarizing plate, liquid crystal display device, and organic EL display device each having the same 日本化药株式会社 2024-12-20 — — CN disclosed
Send feedback