SCHEMBL27399787

SCHEMBL27399787

Nc1cccc(COO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 2/20 0.52
CYP19A1 P11511 1/20 0.50
CA12 O43570 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP3A4 P08684 2/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
APP P05067 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL366865 0.82 MAOB (0.56) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL1520696 0.80 IDO1 (0.61) MAOBMAOACYP3A4IDO1AGXT
SCHEMBL9401852 0.78 MAOB (0.52) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL18217412 0.78 MAOB (0.52) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL1348468 0.78 MAOB (0.52) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL633486 0.78 MAOB (0.52) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL30601044 0.78 MAOB (0.52) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL21921202 0.78 MAOB (0.47) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL21838316 0.78 MAOB (0.47) MAOBMAOACYP19A1CA12ALDH1A1
SCHEMBL17028590 0.77 ENPP2 (0.58) CA12ALDH1A1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064360-C Fused imidazo [1, 2-a ] pyridines SHINIPPON PHARMACEUTICAL INC (JP) 2001-04-11 CN disclosed