SCHEMBL6979799

SCHEMBL6979799

COc1ccc(C(C=O)c2cccc([N+](=O)[O-])c2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HTR7 P34969 1/20 0.40
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GPR35 Q9HC97 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MERTK Q12866 1/20 0.39
CYP19A1 P11511 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
MAPT P10636 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL26670137 0.89 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2AHTR7
SCHEMBL28555839 0.73 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKMT2AHTR7
SCHEMBL4775938 0.73 ALDH1A1 (0.52) RAB9AKMT2ATSHRALDH1A1TDP1
SCHEMBL4748432 0.72 CYP1A2 (0.40) KMT2ATSHRNFE2L2ALDH1A1TDP1
SCHEMBL5583370 0.72 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL7802203 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKMT2AHTR7
SCHEMBL28233631 0.72 HTR7 (0.52) SMN1; SMN2NPC1RAB9AKMT2ATSHR
SCHEMBL11558512 0.72 ACP3 (0.44) NPC1RAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL28569559 0.71 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKMT2ATSHR
SCHEMBL11280865 0.70 HPGD (0.45) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO disclosed