SCHEMBL6604080

SCHEMBL6604080

Cc1nc(NC(=O)O)sc1C(=O)NCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
PKM P14618 1/20 0.57
SCD O00767 1/20 0.57
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
HSD17B10 Q99714 4/20 0.53
ALOX15 P16050 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
CLK1 P49759 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 3/20 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
SCHEMBL772266 0.86 LCK (0.60) TDP1PKMSCDRAB9ALMNA
SCHEMBL5608032 0.79 MAPT (0.48) TDP1PKMRAB9ALMNANPC1
SCHEMBL6604083 0.78 MAPT (0.53) TDP1PKMRAB9ALMNANPC1
SCHEMBL3583154 0.73 SCD (0.76) PKMSCDRAB9ALMNANPC1
SCHEMBL5608014 0.73 SCD (0.58) PKMSCDRAB9ALMNANPC1
SCHEMBL3587905 0.73 PKM (1.00) TDP1PKMRAB9ALMNANPC1
SCHEMBL774205 0.72 MAPT (0.81) RAB9ALMNANPC1ALDH1A1MAPT
SCHEMBL14148663 0.72 LMNA (0.58) PKMRAB9ALMNANPC1ALDH1A1
SCHEMBL3585084 0.72 SCD (1.00) SCDRAB9ALMNANPC1ALDH1A1
SCHEMBL3584809 0.72 SCD (0.82) SCDRAB9ALMNANPC1ALDH1A1

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