SCHEMBL861555

SCHEMBL861555

OB(O)C1=Cc2ccccc2ON=C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32

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
SCHEMBL6171944 0.70 LMNA (0.36) TRPA1
SCHEMBL6173883 0.69 TRPA1 (0.39) TRPA1
SCHEMBL15320562 0.68 CA1 (0.38) TRPA1
SCHEMBL27529392 0.68 MEN1 (0.33) TRPA1
Hydrochloric Acid SCHEMBL15322807 0.67 CA1 (0.37) TRPA1
SCHEMBL4748281 0.66 TRPA1 (0.34) TRPA1
SCHEMBL444400 0.62 TRPA1 (0.34) TRPA1
Urea SCHEMBL8887503 0.60 TRPA1 (0.40) TRPA1
SCHEMBL11830486 0.60 TRPA1 (0.35) TRPA1
SCHEMBL29757278 0.58 KDM4E (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed