SCHEMBL9450604

SCHEMBL9450604

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.56
▸ CES1 P23141 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP2 O75604 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9450599 0.76 KDM4E (0.42) BRD4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7712260 0.75 POLB (0.59) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL9450622 0.72 BRD4 (0.53) BRD4CES1ALDH1A1KMT2AKDM4E
SCHEMBL18485471 0.69 KDM4E (0.53) BRD4CES1ALDH1A1KMT2AKDM4E
SCHEMBL22533232 0.69 KMT2A (0.51) BRD4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9348435 0.69 ALDH1A1 (0.76) CES1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9450607 0.69 ALDH1A1 (0.46) BRD4ALDH1A1KMT2AKDM4EMAPT
SCHEMBL887161 0.66 CES1 (0.62) CES1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL22550209 0.65 BRD4 (0.46) BRD4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29774541 0.65 BRD4 (0.46) BRD4ALDH1A1KMT2AKDM4EMEN1

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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