SCHEMBL14146188

SCHEMBL14146188

Cc1ccccc1C1SC(CC(=O)O)CNc2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SLC8B1 Q6J4K2 1/20 0.39
AVPR1A P37288 2/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.34
ATM Q13315 1/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNMA1 Q12791 1/20 0.33
PYGL P06737 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4110842 0.68 MAPT (0.55) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4110835 0.68 MAPT (0.55) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4110833 0.68 MAPT (0.55) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL10044117 0.68 TP53 (0.79) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4118501 0.67 GLA (0.43) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4118508 0.67 GLA (0.43) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4118511 0.67 GLA (0.43) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL13776052 0.67 CDYL2 (0.46) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL8103029 0.65 FDFT1 (0.39) MAPTTP53CYP1A2CYP2C9ALOX15
SCHEMBL4112348 0.65 CDYL2 (0.46) MAPTTP53CYP1A2CYP2C9ALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed