SCHEMBL5701185

SCHEMBL5701185

CN(C)c1ccc2ccc(=O)n(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
BRPF1 P55201 3/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
CA9 Q16790 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
NCF1 P14598 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 1/20 0.39
SMPD3 Q9NY59 2/20 0.38
CRHR1 P34998 3/20 0.34

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
SCHEMBL11591247 0.76 NQO2 (0.44) KAT2BBRD9ALDH1A1HPGDHSD17B10
SCHEMBL11589606 0.75 ALDH1A1 (0.54) NCF1ALDH1A1CYP1A2HPGDCASP1
SCHEMBL29377253 0.73 KDM4E (0.56) BRD9ALDH1A1HPGDHSD17B10ADORA1
SCHEMBL76177 0.73 KDM4E (0.56) BRD9ALDH1A1HPGDHSD17B10ADORA1
SCHEMBL13941410 0.72 CDK4 (0.42) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL21284819 0.70 CCR1 (0.45) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL26142007 0.70 CDK4 (0.41) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL19231460 0.69 CDC7 (0.44) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL29712289 0.68 BRD4 (0.50) CDK4CCND1CCND2CCND3BRPF1
SCHEMBL2614748 0.68 BRD4 (0.50) CDK4CCND1CCND2CCND3BRPF1

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
US-7151623-B2 Holographic data-storage medium TESA SCRIBOS GMBH (DE) 2006-12-19 US disclosed
EP-1395985-B1 HOLOGRAPHIC DATA-STORAGE MEDIUM TESA SCRIBOS GMBH (DE) 2006-09-06 EP disclosed