SCHEMBL8625288

SCHEMBL8625288

O=C(O)c1cc(=O)c2cc(F)c(F)c(F)c2n1CCF

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
CCR2 P41597 2/20 0.34
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FDPS P14324 1/20 0.33
STAT3 P40763 1/20 0.30

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
SCHEMBL29023851 0.87 KDM4E (0.42) KDM4EPOLBPKMCCR2ALDH1A1
SCHEMBL10725210 0.75 ALDH1A1 (0.34) KDM4EPOLBALDH1A1HSP90AA1RXFP1
SCHEMBL10668244 0.75 KDM4E (0.32) KDM4EPOLBALDH1A1HSP90AA1RXFP1
SCHEMBL8096676 0.74 TOP2A (0.47) KDM4EPOLBALDH1A1HSP90AA1RXFP1
SCHEMBL10758373 0.72 KDM4E (0.53) KDM4EPOLBALDH1A1
SCHEMBL500481 0.69 KDM4E (0.69) KDM4EPOLBALDH1A1HSP90AA1RXFP1
SCHEMBL311265 0.68 PIM1 (0.35) KDM4EPOLBPKM
SCHEMBL3136241 0.66 TOP2A (0.47)
SCHEMBL7119198 0.65 MAPT (0.47) KDM4EALDH1A1STAT3
SCHEMBL10427427 0.64 STAT3 (0.36) KDM4EPOLBPKMALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP disclosed
EP-0684942-A4 1995-12-27 EP disclosed
EP-0684942-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1995-12-06 EP disclosed
US-5430152-A Heating aminoarylester in presence of chlorosulfonic acid, oleum HOECHST CELANESE CORPORATION (US) 1995-07-04 US disclosed
WO-1994019312-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1994-09-01 WO disclosed