SCHEMBL9843741

SCHEMBL9843741

Cc1oc2c(Br)ccc(C(=O)O)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
GPR35 Q9HC97 4/20 0.36
TTR P02766 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MYC P01106 1/20 0.33
EPRS1 P07814 1/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL15821727 0.87 CYP1A2 (0.38) CYP1A2GPR35TTRNPC1RAB9A
SCHEMBL11335559 0.84 CYP1A2 (0.46) CYP1A2GPR35TTRNPC1RAB9A
SCHEMBL74507 0.78 ALDH1A1 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9843745 0.76 ALDH1A1 (0.38) SMN1; SMN2HSD17B10HPGDALDH1A1KDM4E
SCHEMBL4574940 0.73 NPC1 (0.36) CYP1A2NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL28137300 0.72 CYP1A2 (0.43) CYP1A2GPR35TTRNPC1RAB9A
SCHEMBL9843715 0.71 CYP19A1 (0.34)
SCHEMBL11344952 0.70 MCL1 (0.50) CYP1A2GPR35TTRNPC1RAB9A
SCHEMBL496639 0.70 EDNRA (0.45) CYP1A2GPR35TTRNPC1RAB9A
SCHEMBL73469 0.70 PDE4A (0.41) MAPT

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
EP-0445073-A1 Benzofurans CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed