SCHEMBL4768217

SCHEMBL4768217

CC[C@@H](Cc1ccc(-c2nc(C(C)(C)O)[nH]c2C)cc1)NCc1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CSNK2A1 P68400 2/20 0.36
S1PR1 P21453 6/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.34
P2RX3 P56373 5/20 0.33
LMNA P02545 1/20 0.33
GRM2 Q14416 2/20 0.32
KMO O15229 1/20 0.32
KDM4E B2RXH2 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL4876587 0.84 S1PR1 (0.39) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL4777470 0.73 S1PR1 (0.38) MEN1KMT2ACSNK2A1S1PR1S1PR3
SCHEMBL4835978 0.70 CENPE (0.44) S1PR1S1PR3S1PR5WDR5
SCHEMBL4722508 0.70 CENPE (0.45) S1PR1S1PR3S1PR5P2RX3
SCHEMBL5569134 0.70 CENPE (0.39) MEN1KMT2ACSNK2A1S1PR1P2RX3
SCHEMBL4777738 0.69 S1PR1 (0.36) MEN1KMT2ACSNK2A1S1PR1S1PR3
SCHEMBL4880118 0.69 S1PR1 (0.37) CSNK2A1S1PR1S1PR3S1PR5P2RX3
SCHEMBL4718875 0.68 CENPE (0.45) S1PR1S1PR3S1PR5
SCHEMBL5569467 0.66 CENPE (0.39) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL4720739 0.66 CENPE (0.45) S1PR1S1PR3S1PR5

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 disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed