SCHEMBL2843053

SCHEMBL2843053

CC(=O)N(CCOC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)NCc1ccccc1Cl.CC(=O)N(CCON(C=O)c1nc2ccc(S(C)(=O)=O)cc2s1)NCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.40
GHSR Q92847 2/20 0.40
DYRK1A Q13627 1/20 0.40
ACP1 P24666 1/20 0.38
KMT2A Q03164 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.36
RECQL P46063 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
SCHEMBL4350654 0.97 CSNK1D (0.43) CSNK1DALDH1A1GAAPOLBGHSR
SCHEMBL214821 0.88 CSNK1D (0.43) CSNK1DGAADYRK1AACP1SMN1; SMN2
SCHEMBL213647 0.86 GHSR (0.41) CSNK1DALDH1A1GAAPOLBGHSR
SCHEMBL209925 0.80 CSNK1D (0.51) CSNK1DPOLBGHSRDYRK1AKMT2A
SCHEMBL209978 0.79 CSNK1D (0.49) CSNK1DDYRK1AACP1
SCHEMBL210507 0.74 CSNK1D (0.47) CSNK1DALDH1A1GHSRDYRK1AKMT2A
SCHEMBL2721555 0.74 CSNK1D (0.54) CSNK1DALDH1A1GHSRDYRK1AACP1
SCHEMBL4342546 0.74 RAB9A (0.58) CSNK1DALDH1A1GAADYRK1AKMT2A
SCHEMBL211950 0.74 CSNK1D (0.45) CSNK1DALDH1A1POLBKMT2AMEN1
SCHEMBL211695 0.74 NPC1 (0.55) CSNK1DALDH1A1GAAACP1HPGD

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed