SCHEMBL6680175

SCHEMBL6680175

COc1cccc(COB(O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
AGXT P21549 2/20 0.61
MAOB P27338 7/20 0.53
TAAR1 Q96RJ0 3/20 0.51
ENPP2 Q13822 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL6682153 0.82 IDO1 (0.53) IDO1AGXTMAOBTAAR1ENPP2
SCHEMBL3389080 0.79 IDO1 (0.67) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL31264 0.79 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL3768643 0.79 IDO1 (0.71) IDO1AGXTMAOBTAAR1CHRM2
SCHEMBL28900978 0.78 KDM1A (0.39) IDO1ENPP2
SCHEMBL28702633 0.78 IDO1 (0.58) IDO1MAOBTAAR1
SCHEMBL30625292 0.78 IDO1 (0.58) IDO1MAOBTAAR1
SCHEMBL3283941 0.78 TAAR1 (0.55) IDO1AGXTMAOBTAAR1ENPP2
SCHEMBL6273725 0.77 IDO1 (0.55) IDO1AGXTMAOBENPP2
SCHEMBL6205292 0.76 IDO1 (0.62) IDO1AGXTMAOBTAAR1CHRM2

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-1137641-B1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL CO (JP) 2004-11-10 EP disclosed
US-6500951-B1 RING CLOSING A CARBOXYLIC ACID DERIVATIVE IN PRESENCE OF A NITROGEN CONTAINING AROMATIC COMPOUND AND A BORON COMPOUND; HIGH YIELD AND PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 WO disclosed