SCHEMBL6467512

SCHEMBL6467512

FCOCOc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SOD1 P00441 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL22491482 0.86 MAOB (0.50) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL542315 0.84 MAOB (0.60) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL4653072 0.81 MAOB (0.53) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL3934890 0.81 MAOB (0.49) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL10422293 0.78 KCNA3 (0.50) ALDH1A1LMNA
SCHEMBL18587804 0.77 MAOB (0.49) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL900772 0.77 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL30788655 0.77 MAOB (0.56) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL943678 0.77 MAOB (0.56) MAOBRAB9AHTTL3MBTL1SOD1
SCHEMBL30567997 0.77 MAOB (0.56) MAOBRAB9AHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569912-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 WO disclosed