SCHEMBL5998541

SCHEMBL5998541

Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccc(C(=O)O)cc3)nc2C)c(C)c1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.84
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HPGD P15428 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL16785818 0.93 LCK (0.84) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL773819 0.92 LCK (1.00) LCKSMN1; SMN2NPC1RAB9A
SCHEMBL5516409 0.90 LCK (0.87) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL774092 0.89 LCK (0.79) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL774903 0.89 LCK (0.79) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL774606 0.88 LCK (0.77) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL774166 0.88 LCK (0.80) LCKSMN1; SMN2KDM4E
SCHEMBL771411 0.88 LCK (0.80) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL774218 0.87 LCK (0.76) LCKSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL769189 0.86 LCK (0.74) LCKSMN1; SMN2NPC1RAB9AKMT2A

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-7153856-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed