SCHEMBL5746444

SCHEMBL5746444

Cc1cnc(-c2ccc(C(F)(F)F)nc2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
TRPV3 Q8NET8 4/20 0.43
TRPV4 Q9HBA0 1/20 0.40
PIK3CA P42336 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
KCNH2 Q12809 3/20 0.38
KDM5B Q9UGL1 1/20 0.37
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 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
SCHEMBL5219754 0.81 LMNA (0.43) CASP3TRPV3KCNH2
SCHEMBL18068205 0.80 PTGES (0.31)
SCHEMBL7015467 0.76 NPC1 (0.40) PIK3CAKCNH2
SCHEMBL2763495 0.75 NPC1 (0.45) MAP4K4
SCHEMBL5484106 0.73 CASP3 (0.48) CASP3TRPV4PIK3CAPI4KBPIK3CD
SCHEMBL13841426 0.72 LMNA (0.55)
SCHEMBL26848732 0.72 PIK3CA (0.43) CASP3TRPV3TRPV4PIK3CAPI4KB
SCHEMBL14488216 0.71 CASP3 (0.52) CASP3TRPV3TRPV4PIK3CAPI4KB
SCHEMBL25193000 0.71 PDE10A (0.41) CASP3TRPV3TRPV4PIK3CAPI4KB
SCHEMBL5749124 0.70 KMT2A (0.48) TRPV3KCNH2

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-0902026-B1 Herbicidal 2-azinyl-6-aryloxypyr(mi)dines BASF AG (DE) 2006-04-12 EP disclosed
EP-0902026-A1 Herbicidal 2-azinyl-6-aryloxypyr (mi) dines American Cyanamid Company (US) 1999-03-17 EP disclosed