SCHEMBL7007549

SCHEMBL7007549

CCOC(=O)Nc1cc(-n2cc(C(=O)OCC)c(=O)c3cc(F)c(Cl)nc32)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
STAT3 P40763 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL7010114 0.93 LMNA (0.41) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7005050 0.91 STAT3 (0.42) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7004404 0.89 STAT3 (0.43) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7011348 0.87 KMT2A (0.40) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7004278 0.85 STAT3 (0.43) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7008116 0.84 KDM4E (0.46) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL3236130 0.84 KMT2A (0.48) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7011925 0.83 STAT3 (0.42) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7007493 0.82 STAT3 (0.43) ALDH1A1STAT3KDM4EHPGDHSD17B10
SCHEMBL7007378 0.82 ALDH1A1 (0.51) ALDH1A1STAT3KDM4EHPGDHSD17B10

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-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed