SCHEMBL13680602

SCHEMBL13680602

Cc1ccc(-c2ccc(C(F)(F)F)nc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
PTGS2 P35354 4/20 0.39
PIK3CA P42336 3/20 0.38
KCNH2 Q12809 3/20 0.38
PI4KB Q9UBF8 2/20 0.38
MAP4K4 O95819 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
SLC34A1 Q06495 2/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
PTGS1 P23219 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MTOR P42345 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
GRM5 P41594 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
SCHEMBL19064527 0.74 HPGDS (0.50) TRPV4PIK3CAKCNH2PI4KBMAP4K4
SCHEMBL14937962 0.74 CYP1A2 (0.44) TRPV4PIK3CAKCNH2PI4KBMAP4K4
SCHEMBL13680603 0.74 PTGS2 (0.50) PTGS2
SCHEMBL26849009 0.72 SLC34A1 (0.43) TRPV4PIK3CAKCNH2PI4KBMAP4K4
SCHEMBL1719257 0.71 PTGS2 (0.44) TRPV4PTGS2PIK3CAKCNH2PI4KB
SCHEMBL15121154 0.68 TRPV4 (0.46) TRPV4PIK3CAKCNH2PI4KBMAP4K4
SCHEMBL27945325 0.68 USP2 (0.36)
SCHEMBL16906665 0.68 PTGS2 (0.45) TRPV4PTGS2PIK3CAKCNH2PI4KB
SCHEMBL17247907 0.68 CYP2A6 (0.53) TRPV4PTGS2PIK3CAKCNH2PI4KB
SCHEMBL9157341 0.68 PIK3CA (0.46) TRPV4PTGS2PIK3CAKCNH2PI4KB

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed