SCHEMBL4444936

SCHEMBL4444936

CCc1c(C(N)=O)ccc(-c2ccccc2)c1CC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.53
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.41
IKBKB O14920 4/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
CHUK O15111 1/20 0.39
IKBKE Q14164 1/20 0.39
PKMYT1 Q99640 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PLA2G2A P14555 5/20 0.39
PLA2G10 O15496 4/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL4789155 0.87 BCAT2 (0.50) BCAT2KDM4EMEN1KMT2ABRD4
SCHEMBL4439618 0.87 BCAT2 (0.62) BCAT2MEN1KMT2ABRD4IKBKB
SCHEMBL11765150 0.85 SMN1; SMN2 (0.37) BCAT2KDM4EMEN1KMT2A
SCHEMBL28149292 0.84 BCAT2 (0.50) BCAT2KDM4EMEN1KMT2ABRD4
SCHEMBL28448707 0.82 ALDH1A1 (0.50) KDM4EMEN1KMT2A
SCHEMBL1018547 0.82 PARP1 (0.42) KDM4EMEN1KMT2ACCNCCDK8
SCHEMBL4065289 0.79 BCAT2 (0.43) BCAT2KDM4EMEN1KMT2ABRD4
SCHEMBL4434802 0.79 BCAT2 (0.43) BCAT2MEN1KMT2ACCNCCDK8
SCHEMBL7491668 0.78 MAPT (0.46) KDM4EMEN1KMT2APLA2G2APLA2G10
SCHEMBL5476512 0.78 BCAT2 (0.59) BCAT2MEN1KMT2AIKBKBLTB4R2

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-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed