SCHEMBL7005983

SCHEMBL7005983

CCOC(=O)c1cn(-c2ccc(F)cc2)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
STAT3 P40763 3/20 0.56
NPC1 O15118 1/20 0.48
KMT2A Q03164 2/20 0.45
PIM1 P11309 2/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL10471993 0.93 HTT (0.57) HTTSTAT3NPC1KMT2APIM1
SCHEMBL8040002 0.92 STAT3 (0.64) HTTSTAT3NPC1KMT2APIM1
SCHEMBL5528631 0.91 HTT (0.53) HTTSTAT3NPC1KMT2APIM1
SCHEMBL14417317 0.90 HTT (0.52) HTTSTAT3NPC1KMT2APIM1
SCHEMBL7004211 0.89 STAT3 (0.53) HTTSTAT3NPC1KMT2APIM1
SCHEMBL9871156 0.88 HTT (0.62) HTTSTAT3NPC1KMT2APIM1
SCHEMBL7006936 0.88 HTT (0.56) HTTSTAT3NPC1KMT2APIM1
SCHEMBL7004096 0.88 STAT3 (0.52) HTTSTAT3NPC1KMT2APIM1
SCHEMBL7011343 0.88 STAT3 (0.52) HTTSTAT3NPC1KMT2APIM1
SCHEMBL9773968 0.88 HTT (0.54) HTTSTAT3NPC1KMT2APIM1

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