SCHEMBL20041750

SCHEMBL20041750

C1=C2Cc3ccccc3/N=C\NC2CCC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 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
SCHEMBL9617160 0.66 PRCP (0.47) TRPA1
Hydrochloric Acid SCHEMBL9582716 0.65 PRCP (0.46) TRPA1
SCHEMBL8945950 0.64 NOS2 (0.40) TRPA1
SCHEMBL8946067 0.62 TSHR (0.40) TRPA1
SCHEMBL29546867 0.58 TRPA1 (0.41) TRPA1
SCHEMBL1398081 0.58 TRPA1 (0.41) TRPA1
Water SCHEMBL28834494 0.56 TRPA1 (0.39) TRPA1
Hydrochloric Acid SCHEMBL30528593 0.56 NPC1 (0.43) TRPA1
SCHEMBL2505491 0.55
SCHEMBL11034734 0.55 TRPA1 (0.38) TRPA1

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed