SCHEMBL7701965

SCHEMBL7701965

Cc1cc2c(-c3ccco3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 8/20 0.46
TP53 P04637 4/20 0.46
RAB9A P51151 8/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 7/20 0.45
GFER P55789 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7707120 0.89 SMN1; SMN2 (0.46) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7704594 0.87 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7707511 0.87 EPHX2 (0.53) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7084508 0.85 ROCK2 (0.51) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7707136 0.85 HDAC1 (0.46) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL6991336 0.84 RAB9A (0.56) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7707549 0.82 RAB9A (0.47) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7701943 0.81 MEN1 (0.45) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL7707145 0.81 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2TP53RAB9A
SCHEMBL6988611 0.78 RAB9A (0.58) ALDH1A1TDP1SMN1; SMN2TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US claimed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed