SCHEMBL7443000

SCHEMBL7443000

COc1c(C(=O)O)cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
TPMT P51580 1/20 0.48
PKM P14618 1/20 0.48
CDK2 P24941 2/20 0.47
HPRT1 P00492 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
ANO2 Q9NQ90 1/20 0.45
ABCB1 P08183 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSV O60911 1/20 0.43

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
SCHEMBL8967277 0.87 ALDH1A1 (0.54) AKR1C3AKR1C2AKR1C4AKR1C1ABCB1
SCHEMBL11026935 0.80 CTSB (0.53) TSHRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL6823020 0.80 TPMT (0.58) TSHRAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL4442629 0.78 CDK2 (0.48) TSHRAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL14842540 0.77 MCL1 (0.54) TSHRPKMHPRT1ABCB1ALDH1A1
SCHEMBL6205105 0.77 ALDH1A1 (0.53) TSHRAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL669832 0.76 THRB (0.61) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL976330 0.76 KDM4E (0.57) PKMALDH1A1MAPTHPGDTDP1
SCHEMBL485446 0.75 KDM4E (0.47) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL6987407 0.75 HSD17B10 (0.56) ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985895-A 2-naphthamide derivatives and their therapeutic applications INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE-INSERM (FR) 1999-11-16 US disclosed
US-5872119-A 2-Naphthamide derivatives and their therapeutic applications Institut National De La Sante et De La Recherche Medicale--INSERM (FR) 1999-02-16 US disclosed
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP disclosed