SCHEMBL9764366

SCHEMBL9764366

CCc1cccc(-c2ccccc2-c2ccc(F)c(F)c2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
BCL2 P10415 1/20 0.39
IDO1 P14902 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
SCN8A Q9UQD0 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
SCHEMBL9223489 0.92 HTR7 (0.43) HTR7NPC1ALDH1A1LMNAMAPT
SCHEMBL9763549 0.90 HTR7 (0.46) HTR7CTSSCTSKCTSLFFAR1
SCHEMBL9505508 0.87 HTR7 (0.43) HTR7CTSSCTSKCTSLFFAR1
SCHEMBL9764076 0.86 GPR3 (0.43) HTR7
SCHEMBL9763735 0.85 GPR3 (0.45) HTR7
SCHEMBL9763636 0.85 GPR3 (0.45) HTR7
SCHEMBL9764332 0.85 GPR3 (0.45) HTR7
SCHEMBL9764031 0.85 GPR3 (0.45) HTR7
SCHEMBL9763652 0.85 GPR3 (0.45) HTR7
SCHEMBL18015898 0.83 HTR7 (0.42) HTR7BCL2IDO1FFAR1FFAR4

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
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed