SCHEMBL7423973

SCHEMBL7423973

COc1ccc(Br)c2cc(S(C)(=O)=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.42
ALDH1A1 P00352 7/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
PTGS2 P35354 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7425906 0.84 MAPT (0.51) F2RL3ALDH1A1MAPTHPGDCA12
SCHEMBL7423556 0.78 PDE4A (0.43) ALDH1A1MAPTHPGDSMN1; SMN2CA12
SCHEMBL18317798 0.77 ALPL (0.40) F2RL3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL829998 0.77 CA12 (0.50) F2RL3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16345291 0.76 F2RL3 (0.38) F2RL3ALDH1A1MAPTHPGDCA12
SCHEMBL16345751 0.76 F2RL3 (0.46) F2RL3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL18317797 0.74 ALDH1A1 (0.40) F2RL3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL16345750 0.74 F2RL3 (0.45) F2RL3ALDH1A1MAPTHPGDCA12
SCHEMBL7428362 0.74 ERN1 (0.44) F2RL3ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3610073 0.74 LMNA (0.57) F2RL3ALDH1A1MAPTCA9LMNA

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