SCHEMBL8225920

SCHEMBL8225920

CC(C)(C)CC(=O)N1CCC(NC(=O)c2n[nH]cc2NC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
ATF4 P18848 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM5A P29375 1/20 0.41
CYP3A4 P08684 1/20 0.41
CNR1 P21554 9/20 0.40
CNR2 P34972 9/20 0.40
TSHR P16473 1/20 0.39
JAK1 P23458 1/20 0.38
CDK14 O94921 1/20 0.38
CCNY Q8ND76 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 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
SCHEMBL1286716 0.86 CNR1 (0.54) KDM4EALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL8221125 0.85 DYRK1A (0.39) EPHX2SMN1; SMN2TSHRJAK1MEN1
SCHEMBL8260921 0.82 ACKR3 (0.45) KDM4ECDK14CCNYMEN1KMT2A
SCHEMBL8261197 0.79 CDK5 (0.46) CDK14CCNY
SCHEMBL8261368 0.77 HDAC4 (0.51) ALDH1A1CNR1CNR2TSHRMEN1
SCHEMBL8219219 0.77 CCR8 (0.57) KDM4EALDH1A1MEN1KMT2A
SCHEMBL24758664 0.76 EPHX2 (0.54) EPHX2CDK14CCNY
SCHEMBL1286696 0.76 HTR1A (0.46) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8262988 0.75 CDK14 (0.49) EPHX2CDK14CCNY
SCHEMBL29199176 0.74 CDK14 (0.49) EPHX2CDK14CCNY

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-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 WO disclosed