SCHEMBL4777398

SCHEMBL4777398

CC(=O)N1CCCC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)[S+](C)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.39
TPSAB1 Q15661 1/20 0.39
GAA P10253 1/20 0.37
CCNT1 O60563 1/20 0.37

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
SCHEMBL4775167 0.90 KDM4E (0.39) KDM4EALDH1A1LMNATPSAB1GAA
SCHEMBL4770946 0.85 RECQL (0.39) KMT2AKDM4EALDH1A1NPC1LMNA
SCHEMBL4767621 0.85 RECQL (0.49) KMT2AKDM4EALDH1A1NPC1LMNA
SCHEMBL4793581 0.78 RECQL (0.41) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL5571955 0.74 ACKR3 (0.49) KMT2AKDM4EALDH1A1GAA
SCHEMBL4774938 0.74 RECQL (0.49) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL4775217 0.69 RECQL (0.56) KMT2AALDH1A1NPC1LMNAMEN1
SCHEMBL5571930 0.67 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL5567967 0.66 KDM4E (0.58) KDM4EALDH1A1LMNAGAA
SCHEMBL4777532 0.65 SLC6A4 (0.44)

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed