SCHEMBL3467252

SCHEMBL3467252

N#CCC1Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.53
TDP2 O95551 1/20 0.43
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KMT2A Q03164 2/20 0.37
AKT1 P31749 3/20 0.37
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.34
FFAR1 O14842 1/20 0.34
PGR P06401 1/20 0.34
OTUD7B Q6GQQ9 2/20 0.34
NAAA Q02083 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4891219 0.84 KIF11 (0.56) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3468263 0.81 KIF11 (0.53) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3308412 0.81 KIF11 (0.53) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3467592 0.81 KIF11 (0.52) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4596144 0.78 KIF11 (0.60) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3467771 0.77 KIF11 (0.48) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3468115 0.76 KIF11 (0.47) KIF11TDP2AKT1CDK2CDK1
SCHEMBL4594888 0.75 KIF11 (0.56) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3467352 0.74 KIF11 (0.45) KIF11TDP2KMT2AMEN1FFAR1
SCHEMBL4887887 0.74 KIF11 (0.55) KIF11TDP2CHRNB2CHRNA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed