SCHEMBL4904834

SCHEMBL4904834

CCCOc1ccc(C(CO)NCc2ccc(OCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCHE P06276 3/20 0.43
GPR88 Q9GZN0 1/20 0.41
PPARA Q07869 1/20 0.41
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL5570353 0.82 BCHE (0.51) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL323594 0.79 BCHE (0.55) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL4884258 0.76 CSNK2A1 (0.55) MEN1KMT2ANPSR1CSNK2A1
SCHEMBL5569180 0.76 ALOX5 (0.46) CSNK2A1
SCHEMBL4775432 0.75 ALDH1A1 (0.46) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL324109 0.75 KMT2A (0.58) MEN1KMT2ABCHE
SCHEMBL27569179 0.72 MRGPRX4 (0.51) MEN1KMT2ACSNK2A1
SCHEMBL5273185 0.71 BCHE (0.60) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5269605 0.71 BCHE (0.59) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL4778789 0.70 LTA4H (0.55)

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed