SCHEMBL7707549

SCHEMBL7707549

Cc1cc2cc(-c3ccco3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.47
NPC1 O15118 12/20 0.47
SMN1; SMN2 Q16637 11/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 4/20 0.46
TSHR P16473 1/20 0.45
BRCA1 P38398 1/20 0.45
GFER P55789 1/20 0.45
EPHX2 P34913 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7704599 0.89 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7707519 0.87 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7092338 0.87 EPHX2 (0.53) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6989433 0.86 ROCK2 (0.52) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7710313 0.86 HDAC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7701965 0.82 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6988611 0.82 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7167309 0.81 TSHR (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL7139981 0.80 MEN1 (0.56) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL7088422 0.80 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPTGAA

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