SCHEMBL6578445

SCHEMBL6578445

Cc1cc(F)c(N)cc1-n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(C)c21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.53
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TOP2A P11388 12/20 0.44
PIM1 P11309 1/20 0.39
TOP2B Q02880 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6578587 0.92 TOP1 (0.54) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7007852 0.91 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7010776 0.91 TOP1 (0.48) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6578430 0.89 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL20912591 0.87 TOP1 (0.50) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL7007014 0.83 PIM1 (0.44) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL6578566 0.83 KCNH2 (0.47) TOP1KDM4EALDH1A1TOP2ATOP2B
SCHEMBL6578831 0.83 CYP3A4 (0.54) TOP1ALDH1A1POLBTOP2ATOP2B
SCHEMBL6578453 0.83 KCNH2 (0.50) TOP1KDM4ETOP2ATOP2BCYP3A4
SCHEMBL7011151 0.83 TOP1 (0.49) TOP1KDM4EALDH1A1POLBHSP90AA1

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-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed