SCHEMBL4438985

SCHEMBL4438985

Cc1ccc(NC(=O)C2(C#N)CCN(C(=O)O)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
FGFR4 P22455 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RET P07949 1/20 0.39
VNN1 O95497 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL3492129 0.86 L3MBTL1 (0.47) RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL3494561 0.85 F13A1 (0.46) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL3493008 0.83 RAB9A (0.46) RAB9AMAPTNPC1FGFR4SMN1; SMN2
SCHEMBL3494863 0.82 ALDH1A1 (0.50) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL3494822 0.79 RAB9A (0.47) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL3493858 0.74 USP30 (0.48)
SCHEMBL3492949 0.74 USP30 (0.48)
SCHEMBL3493778 0.73 JAK2 (0.53)
SCHEMBL3492228 0.73 F13A1 (0.46) RAB9AMEN1KMT2AL3MBTL1HSD17B10
SCHEMBL16685112 0.72 USP30 (0.46) MEN1KMT2AFGFR4

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-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed