SCHEMBL9450641

SCHEMBL9450641

CC(C)Sc1ccc2c3c(cccc13)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 6/20 0.47
▸ CASP1 P29466 4/20 0.47
▸ CASP7 P55210 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ KDR P35968 1/20 0.42

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
SCHEMBL7307793 0.83 CDK5 (0.54) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL9450598 0.79 KDM4E (0.53) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL9450628 0.77 KDM4E (0.52) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL10952664 0.77 KDR (0.48) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL11809624 0.77 BCL2 (0.50) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL9450619 0.75 KDM4E (0.50) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL17617827 0.75 KMT2A (0.56) KDM4EALDH1A1HPGDHTTPOLB
SCHEMBL13256237 0.74 CDK5 (0.57) CDK5CDK5R1KDM4EALDH1A1HPGD
SCHEMBL17617825 0.74 TYMS (0.51) KDM4EALDH1A1HPGDPOLBUSP2
SCHEMBL9703135 0.73 CDK5 (0.53) CDK5CDK5R1KDM4EALDH1A1HPGD

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
US-5229411-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1993-07-20 — — US claimed
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