SCHEMBL321744

SCHEMBL321744

Oc1ccc(-c2ccc(C(F)(F)F)nc2)cc1-c1cccnn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
PIK3CA P42336 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
MAP4K4 O95819 1/20 0.39
KCNH2 Q12809 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
CASP6 P55212 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
WNT3A P56704 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAP3K5 Q99683 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
SCHEMBL321538 0.81 COMT (0.44) CASP6MEN1NPC1RAB9AKMT2A
SCHEMBL28211548 0.81 TRPV4 (0.43) PDE10APIK3CAPI4KBMAP4K4KCNH2
SCHEMBL1690921 0.79 KCNH2 (0.42) PDE10APIK3CAPI4KBMAP4K4KCNH2
SCHEMBL364780 0.76 KMT2A (0.41) CASP6MEN1KMT2APOLB
SCHEMBL15674492 0.75 NT5E (0.49) PIK3CAPI4KBMAP4K4KCNH2MINK1
SCHEMBL30741486 0.73 CASP6 (0.54) CASP6MEN1NPC1RAB9AKMT2A
SCHEMBL15674535 0.73 KCNH2 (0.47) PDE10APIK3CAPI4KBMAP4K4KCNH2
SCHEMBL15674520 0.72 IDO1 (0.49) PDE10APIK3CAPI4KBMAP4K4KCNH2
SCHEMBL27642568 0.72 POLB (0.50) PDE10APIK3CAPI4KBMAP4K4KCNH2
SCHEMBL28032644 0.71 LMNA (0.48) PIK3CAPI4KBMAP4K4KCNH2MINK1

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-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed