SCHEMBL9450613

SCHEMBL9450613

CC(=O)OCSc1ccc2c3c(cccc13)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.44
▸ ALPL P05186 1/20 0.44
▸ KDM4E B2RXH2 8/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 7/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ CASP1 P29466 4/20 0.44
▸ CASP7 P55210 4/20 0.44
▸ HTT P42858 1/20 0.44
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TYMS P04818 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL9450598 0.80 KDM4E (0.53) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL9450628 0.78 KDM4E (0.52) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL9450619 0.76 KDM4E (0.50) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL7307793 0.76 CDK5 (0.54) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL9450641 0.72 CDK5 (0.50) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL11322480 0.71 KDM4E (0.53) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL10952664 0.70 KDR (0.48) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL11809624 0.70 BCL2 (0.50) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL11316606 0.69 KDM4E (0.63) POLBALPLKDM4EALDH1A1HPGD
SCHEMBL14712322 0.68 KDM4E (0.58) POLBALPLKDM4EALDH1A1HPGD

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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