SCHEMBL7682610

SCHEMBL7682610

Cc1cccc(C)c1NC(=O)c1cccc2sc(NC(=O)O)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
KDM4E B2RXH2 4/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 5/20 0.55
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
MCL1 Q07820 1/20 0.52
ESR2 Q92731 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.49
LCK P06239 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ACP1 P24666 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL6057754 0.91 MEN1 (0.53) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL21821838 0.83 MAPT (0.76) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL2753869 0.80 KMT2A (0.70) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL2754060 0.76 KMT2A (0.67) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL5607542 0.76 LCK (0.71) LCK
SCHEMBL6057832 0.75 LCK (0.79) LCK
SCHEMBL5713545 0.75 MAPT (0.67) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL21839447 0.74 CASP3 (0.56) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL13723979 0.74 MAPT (0.74) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL6057617 0.73 LCK (0.50) KDM4EMAPTALDH1A1LCKNPC1

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-1037632-A4 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-08-21 EP disclosed
EP-1037632-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-09-27 EP disclosed
WO-1999024035-A1 BENZOTHIAZOLE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed