SCHEMBL9450599

SCHEMBL9450599

CSc1ccc2c3c(cccc13)C(=O)N2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PKM P14618 1/20 0.36
▸ BRD4 O60885 5/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KEAP1 Q14145 2/20 0.34
▸ NFE2L2 Q16236 2/20 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
SCHEMBL9703132 0.79 MAPT (0.61) KDM4EKMT2AGAACASP1CASP7
SCHEMBL29180980 0.79 CYP1B1 (0.52) KDM4EKMT2AGAACASP1CASP7
SCHEMBL9450623 0.77 PKM (0.51) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9450604 0.76 BRD4 (0.56) KDM4EKMT2AGAACASP1HTT
SCHEMBL30837374 0.76 LMNA (0.40) KDM4EKMT2AGAACASP1CASP7
SCHEMBL9450622 0.73 BRD4 (0.53) KDM4EKMT2AGAAHTTLMNA
SCHEMBL7712260 0.73 POLB (0.59) KDM4EKMT2AHTTLMNAALDH1A1
SCHEMBL9450607 0.72 ALDH1A1 (0.46) KDM4EKMT2AGAAHTTLMNA
SCHEMBL29180967 0.71 KMT2A (0.37) KDM4EKMT2AGAACASP1CASP7
SCHEMBL30837377 0.71 KMT2A (0.37) KDM4EKMT2AGAACASP1CASP7

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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