SCHEMBL9450628

SCHEMBL9450628

CCCSc1ccc2c3c(cccc13)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 5/20 0.52
▸ POLB P06746 3/20 0.52
▸ CASP1 P29466 3/20 0.51
▸ CASP7 P55210 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ PTPRB P23467 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 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
SCHEMBL9450619 0.92 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL9450598 0.89 KDM4E (0.53) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL7307793 0.81 CDK5 (0.54) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL9450613 0.78 POLB (0.44) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL9450641 0.77 CDK5 (0.50) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL14712322 0.76 KDM4E (0.58) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL17617822 0.76 MEN1 (0.54) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL17617816 0.75 TYMS (0.62) KDM4EALDH1A1POLBHTTMEN1
SCHEMBL10952664 0.75 KDR (0.48) KDM4EALDH1A1HPGDPOLBCASP1
SCHEMBL11809624 0.74 BCL2 (0.50) KDM4EALDH1A1HPGDPOLBCASP1

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