SCHEMBL9636784

SCHEMBL9636784

CCOC(=O)c1cn(CCF)c2c(F)c(N3CCN(C)CC3)c(F)cc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.76
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 9/20 0.51
STAT3 P40763 2/20 0.51
HPGD P15428 7/20 0.49
HSD17B10 Q99714 7/20 0.49
ADRA2B P18089 1/20 0.46
MAPK1 P28482 1/20 0.46
DRD3 P35462 1/20 0.46
PMP22 Q01453 1/20 0.46
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 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
SCHEMBL9635375 0.90 KDM4E (0.62) KDM4EKMT2AMEN1ALDH1A1STAT3
SCHEMBL13576353 0.90 KDM4E (0.79) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL9636861 0.89 KDM4E (0.71) KDM4EKMT2AMEN1ALDH1A1STAT3
SCHEMBL9633508 0.86 KDM4E (0.58) KDM4EKMT2AMEN1ALDH1A1STAT3
Fleroxacin SCHEMBL48145 0.86 KDM4E (1.00) KDM4EKMT2AMEN1ALDH1A1HPGD
Fleroxacin SCHEMBL29377022 0.86 KDM4E (1.00) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL5258333 0.86 STAT3 (0.62) KDM4EKMT2AALDH1A1STAT3HPGD
Fleroxacin SCHEMBL9745337 0.85 KDM4E (0.98) KDM4EKMT2AMEN1ALDH1A1HPGD
Fleroxacin SCHEMBL11193870 0.85 KDM4E (0.98) KDM4EKMT2AMEN1ALDH1A1HPGD
Fleroxacin SCHEMBL9745354 0.85 KDM4E (0.98) KDM4EKMT2AMEN1ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0195135-B1 A PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACID DERIVATIVES KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1992-06-17 EP disclosed
EP-0195135-A1 A process for the preparation of quinoline carboxylic acid derivatives KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1986-09-24 EP disclosed