SCHEMBL7427465

SCHEMBL7427465

COc1ccc(Br)c2cc(CBr)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.43
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 3/20 0.38
SLC22A12 Q96S37 2/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 4/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NQO2 P16083 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
HTR2C P28335 2/20 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
SCHEMBL18325768 0.87 SLC22A12 (0.48) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL7423357 0.86 F2RL3 (0.43) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL6604398 0.86 F2RL3 (0.43) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL16345312 0.86 F2RL3 (0.43) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL16795577 0.85 F2RL3 (0.40) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL7429570 0.83 F2RL3 (0.44) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL18317797 0.80 ALDH1A1 (0.40) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL16345291 0.79 F2RL3 (0.38) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL16345511 0.79 F2RL3 (0.38) F2RL3ALDH1A1MAPTHPGDSLC22A12
SCHEMBL16345751 0.78 F2RL3 (0.46) F2RL3ALDH1A1MAPTHPGDKDM4E

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