SCHEMBL7701971

SCHEMBL7701971

Cc1[nH]c2cccc(-c3nccs3)c2c1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
BRCA1 P38398 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PORCN Q9H237 1/20 0.42
AKT1 P31749 1/20 0.42
BACE1 P56817 1/20 0.42
ROCK2 O75116 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
SCHEMBL6991349 0.80 SMN1; SMN2 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7701943 0.72 MEN1 (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6988214 0.69 GAK (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7167309 0.68 TSHR (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6985373 0.68 KHK (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6990762 0.68 ALDH1A1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6885464 0.67 ROCK2 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6986415 0.67 RAB9A (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3178619 0.67 NPC1 (0.72) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7091715 0.67 MEN1 (0.43) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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