SCHEMBL6605576

SCHEMBL6605576

Cc1ccccc1NC(=O)c1cncs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
GRM4 Q14833 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL19205386 0.84 KMT2A (0.56) POLBKMT2ARAB9AHTTHSD17B10
SCHEMBL28099856 0.82 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1TP53
Ammonia Solution, Strong SCHEMBL20302197 0.80 GRM4 (0.60) HPGDKMT2ANPC1RAB9AALDH1A1
SCHEMBL27958195 0.79 MAPT (0.62) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL892780 0.79 KMT2A (0.71) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL30119793 0.79 LCK (0.58) KMT2A
SCHEMBL6413812 0.79 LCK (0.58) KMT2A
SCHEMBL7991476 0.78 MAPT (0.68) KMT2ANPC1RAB9AALDH1A1TP53
SCHEMBL892318 0.76 KMT2A (0.72) HPGDKMT2ANPC1RAB9AALDH1A1
SCHEMBL11981315 0.76 HTT (0.55) HPGDPOLBKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO claimed