SCHEMBL7707145

SCHEMBL7707145

COc1cccc2c1cc(C)n2-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 4/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ASF1A Q9Y294 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL6991336 0.88 RAB9A (0.56) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7707511 0.85 EPHX2 (0.53) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7084508 0.83 ROCK2 (0.51) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7701943 0.82 MEN1 (0.45) SMN1; SMN2TSHRMAPTRAB9ANPC1
SCHEMBL6988611 0.81 RAB9A (0.58) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7701965 0.81 ALDH1A1 (0.47) SMN1; SMN2TSHRMAPTRAB9ANPC1
SCHEMBL7707136 0.80 HDAC1 (0.46) SMN1; SMN2TSHRMAPTRAB9ANPC1
SCHEMBL7704577 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7707522 0.78 SMN1; SMN2 (0.50) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL7137687 0.77 RAB9A (0.52) SMN1; SMN2MAPTRAB9ANPC1TP53

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