SCHEMBL3713787

SCHEMBL3713787

C[Si](C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.76
CA12 O43570 1/20 0.71
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA9 Q16790 1/20 0.71
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TRPV1 Q8NER1 4/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TRPA1 O75762 1/20 0.53
KCNH2 Q12809 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53

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
SCHEMBL6433401 0.86 PANK3 (1.00) PANK3CA12CA1CA2CA9
SCHEMBL3709346 0.85 PANK3 (0.55) PANK3CA12CA1CA2CA9
SCHEMBL3711158 0.84 TRPV1 (0.77) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3712799 0.84 TRPV1 (0.60) PANK3CA12CA1CA2CA9
SCHEMBL3705471 0.84 TRPV1 (0.62) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3710357 0.84 TRPV1 (0.74) TRPV1TRPA1KCNH2TRPM8
SCHEMBL3712104 0.82 TRPV1 (0.80) CA12CA1CA2CA9TRPV1
SCHEMBL3712605 0.81 TRPV1 (0.56) CA12CA1CA2CA9TRPV1
SCHEMBL13862949 0.78 KDM4E (0.65) PANK3CA12CA1CA2CA9
SCHEMBL29678394 0.78 KDM4E (0.65) PANK3CA12CA1CA2CA9

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
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed