SCHEMBL9728983

SCHEMBL9728983

C1=Cc2ccccc2N=NC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31

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
SCHEMBL3111947 0.77 TRPA1 (0.33) TRPA1
SCHEMBL9298 0.77 TRPA1 (0.33) TRPA1
Water SCHEMBL8322206 0.76 TRPA1 (0.32) TRPA1
SCHEMBL6843536 0.73 MAPT (0.39) TRPA1
SCHEMBL14431929 0.72 GAA (0.32)
SCHEMBL1808702 0.65 TRPA1 (0.31) TRPA1
SCHEMBL7947507 0.65 TRPA1 (0.35) TRPA1
Bromide SCHEMBL3719760 0.64 TRPA1 (0.34) TRPA1
SCHEMBL11033478 0.64
SCHEMBL13750206 0.63 NPC1 (0.32)

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
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed