SCHEMBL4773185

SCHEMBL4773185

CCC(C=Cc1ccc(OC(C)C)c(Cl)c1)Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.35
P2RX3 P56373 2/20 0.34
CENPE Q02224 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
RORC P51449 1/20 0.33
MMP1 P03956 2/20 0.32
S1PR5 Q9H228 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.31

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
SCHEMBL4776936 1.00 CSNK2A1 (0.44) CSNK2A1MEN1KMT2ALMNAKDM4E
SCHEMBL5569431 0.88 CSNK2A1 (0.41) CSNK2A1MEN1KMT2ALMNAKDM4E
SCHEMBL5569436 0.88 CSNK2A1 (0.41) CSNK2A1MEN1KMT2ALMNAKDM4E
SCHEMBL14417677 0.81 CSNK2A1 (0.36) CSNK2A1MEN1KMT2ALMNAS1PR1
SCHEMBL5565205 0.75 P2RX3 (0.32) CSNK2A1P2RX3
SCHEMBL5565201 0.75 P2RX3 (0.32) CSNK2A1P2RX3
SCHEMBL1293550 0.69 CSNK2A1 (0.56) CSNK2A1MEN1KMT2ALMNAKDM4E
SCHEMBL4776494 0.67 CENPE (0.54) CSNK2A1MEN1KMT2ALMNAP2RX3
SCHEMBL4776493 0.67 CENPE (0.54) CSNK2A1MEN1KMT2ALMNAP2RX3
SCHEMBL4776495 0.67 CENPE (0.54) CSNK2A1MEN1KMT2ALMNAP2RX3

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