SCHEMBL9563543

SCHEMBL9563543

C=C[SiH](C)C(Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
ACP3 P15309 2/20 0.39
CES2 O00748 1/20 0.39
NFE2L2 Q16236 1/20 0.39
DAO P14920 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL9563521 0.81 PDE2A (0.37) ACP3CES2
SCHEMBL1505949 0.76 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL11316903 0.75 TSHR (0.41) HTR2ATSHR
SCHEMBL9563623 0.74 PNMT (0.39) PNMTIDO1TDO2ACP3CES2
SCHEMBL9563562 0.73 PNMT (0.38) PNMTIDO1TDO2ACP3CES2
SCHEMBL8460577 0.73 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL6705910 0.73 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL8463699 0.73 PNMT (0.51) PNMTIDO1TDO2ACP3CES2
SCHEMBL4601149 0.73 PNMT (0.55) PNMTIDO1TDO2ACP3CES2
SCHEMBL4139253 0.73 PNMT (0.55) PNMTIDO1TDO2ACP3CES2

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-0524829-A1 Novel silane compound, process of preparing the same and plant growth regulator containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-01-27 EP disclosed