SCHEMBL7428362

SCHEMBL7428362

COc1ccc(Br)c2cc(C=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
F2RL3 Q96RI0 3/20 0.43
ALDH1A1 P00352 9/20 0.41
MAPT P10636 3/20 0.41
PRKDC P78527 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 1/20 0.36
AOX1 Q06278 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL16795577 0.78 F2RL3 (0.40) ERN1F2RL3ALDH1A1MAPTPRKDC
SCHEMBL16345751 0.77 F2RL3 (0.46) F2RL3ALDH1A1MAPTHPGDTSHR
SCHEMBL74642 0.77 PDE4A (0.44) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL16345750 0.76 F2RL3 (0.45) ERN1F2RL3ALDH1A1MAPTHPGD
SCHEMBL3610073 0.75 LMNA (0.57) F2RL3ALDH1A1MAPTCA9LMNA
SCHEMBL28730184 0.74 F2RL3 (0.44) F2RL3ALDH1A1MAPTHPGDTSHR
SCHEMBL7423973 0.74 F2RL3 (0.42) ERN1F2RL3ALDH1A1MAPTHPGD
SCHEMBL18325768 0.73 SLC22A12 (0.48) F2RL3ALDH1A1MAPTHPGDKDM4E
SCHEMBL7427465 0.73 F2RL3 (0.43) F2RL3ALDH1A1MAPTHPGDTSHR
SCHEMBL5813408 0.73 CNR2 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO disclosed