SCHEMBL7010668

SCHEMBL7010668

CCOC(=O)c1cn(-c2ccc(F)c(N)c2C)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
CYP2C19 P33261 1/20 0.42
STAT3 P40763 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
ROCK2 O75116 1/20 0.40
CDK1 P06493 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCD Q05655 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40

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
SCHEMBL7008116 0.87 KDM4E (0.46) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7004316 0.87 EPHA2 (0.46) KDM4EHPGDHTTKMT2AALDH1A1
SCHEMBL7004246 0.85 ALDH1A1 (0.48) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL3236130 0.85 KMT2A (0.48) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7004278 0.85 STAT3 (0.43) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7011454 0.85 ROCK2 (0.47) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7007886 0.85 MAPT (0.44) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7007493 0.84 STAT3 (0.43) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7008404 0.84 STAT3 (0.45) KDM4EHPGDCYP2C19STAT3HTT
SCHEMBL7008151 0.84 STAT3 (0.43) KDM4EHPGDCYP2C19STAT3HTT

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