SCHEMBL4818384

SCHEMBL4818384

Brc1cccc2c1[N]C=N2

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36

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
SCHEMBL4752477 0.82 TRPA1 (0.36) TRPA1
SCHEMBL1177457 0.73 CYP3A4 (0.35)
SCHEMBL4821733 0.73 CYP1A2 (0.35)
SCHEMBL4168846 0.68 CYP3A4 (0.33)
SCHEMBL21797450 0.67 PIM1 (0.38)
SCHEMBL2863 0.64
SCHEMBL10588380 0.64
SCHEMBL5712063 0.62 TRPA1 (0.30) TRPA1
SCHEMBL5840553 0.61 ALDH1A1 (0.34)
SCHEMBL28443493 0.61 ALDH1A1 (0.36)

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed