SCHEMBL788893

SCHEMBL788893

Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 6/20 0.61
TRPC6 Q9Y210 6/20 0.61
TRPA1 O75762 1/20 0.61
CACNA1C Q13936 1/20 0.61
SCN5A Q14524 1/20 0.61
TRPV1 Q8NER1 1/20 0.61
TRPV4 Q9HBA0 1/20 0.61
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NUDT1 P36639 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPK10 P53779 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL790044 0.80 TRPC3 (0.71) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459144 0.79 TRPC3 (0.72) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790188 0.79 TRPC3 (0.72) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL2877955 0.79 DHODH (0.55) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL798463 0.77 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26459111 0.77 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL30186173 0.77 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL789257 0.76 TRPC3 (0.52) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL807015 0.73 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL19667972 0.73 NPC1 (0.40) MAPTKDM4EALDH1A1LMNAKMT2A

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
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed