SCHEMBL3203392

SCHEMBL3203392

C1=CN2C(=CN=C1)Cc1ccccc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPGD P15428 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
SCHEMBL3211485 0.74 HPGD (0.33) HPGD
SCHEMBL7008489 0.67 HPGD (0.31) HPGD
SCHEMBL5253272 0.65 NOTUM (0.35) HPGD
SCHEMBL10960773 0.63 HPGD (0.31) HPGD
SCHEMBL7100243 0.61 HPGD (0.36) HPGD
SCHEMBL4751217 0.59 HPGD (0.30) HPGD
SCHEMBL2057181 0.56 HPGD (0.37) HPGD
SCHEMBL3696580 0.56 HPGD (0.44) HPGD
SCHEMBL30908747 0.56
SCHEMBL6430846 0.55 SIGMAR1 (0.30)

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-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed