SCHEMBL9178642

SCHEMBL9178642

CCc1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
GHSR Q92847 3/20 0.54
KIF11 P52732 3/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CHUK O15111 1/20 0.42
DDR1 Q08345 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17145105 0.84 GHSR (0.79) KDM4EGHSRKIF11MAPTMEN1
SCHEMBL18394946 0.80 GHSR (0.56) KDM4EGHSRKIF11MAPTMEN1
SCHEMBL19032013 0.80 MAPT (0.77) KDM4EKIF11MAPTMEN1KMT2A
SCHEMBL890773 0.80 GHSR (0.69) KDM4EGHSRMEN1KMT2A
SCHEMBL9180954 0.79 KDM4E (0.52) KDM4EGHSRMAPTMEN1KMT2A
SCHEMBL9176990 0.78 KDM4E (0.64) KDM4EGHSRKIF11MEN1KMT2A
SCHEMBL22996085 0.78 NR3C1 (0.45) KDM4EKIF11MEN1KMT2A
SCHEMBL20382321 0.78 ALDH1A1 (0.64) KDM4EGHSRMAPTMEN1KMT2A
SCHEMBL20382322 0.76 GAA (0.63) KDM4EGHSRMEN1KMT2A
SCHEMBL24380299 0.74 KIF11 (0.45) KDM4EKIF11MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed