SCHEMBL6205102

SCHEMBL6205102

O=C(O)/C(O)=C/C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA1 P56199 2/20 0.53
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CCNH P51946 1/20 0.51
CCNA1 P78396 1/20 0.51
CDK6 Q00534 1/20 0.51
WDR5 P61964 3/20 0.50
NPC1 O15118 1/20 0.47
PFKFB3 Q16875 1/20 0.47
PGR P06401 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.44
SLC25A1 P53007 1/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL6205381 1.00 ITGA1 (0.53) ITGA1CDK1CCNB1CCNA2CCND1
SCHEMBL6205383 1.00 ITGA1 (0.53) ITGA1CDK1CCNB1CCNA2CCND1
SCHEMBL6204503 0.91 HSD17B1 (0.52) ITGA1CDK1CCNB1CCNA2CCND1
SCHEMBL6205979 0.91 HSD17B1 (0.52) ITGA1CDK1CCNB1CCNA2CCND1
SCHEMBL6205977 0.91 HSD17B1 (0.52) ITGA1CDK1CCNB1CCNA2CCND1
SCHEMBL6207012 0.88 ITGA1 (0.69) ITGA1WDR5NPC1PFKFB3MEN1
SCHEMBL6204782 0.88 ITGA1 (0.69) ITGA1WDR5NPC1PFKFB3MEN1
SCHEMBL6204438 0.88 ITGA1 (0.57) ITGA1WDR5NPC1MEN1KMT2A
SCHEMBL6204447 0.88 ITGA1 (0.57) ITGA1WDR5NPC1MEN1KMT2A
SCHEMBL6207007 0.88 ITGA1 (0.69) ITGA1WDR5NPC1PFKFB3MEN1

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
EP-1100763-B1 DIKETOACID-DERIVATIVES AS INHIBITORS OF POLYMERASES ANGELETTI P IST RICHERCHE BIO (IT) 2005-06-22 EP claimed