SCHEMBL20114161

SCHEMBL20114161

c1ccc2c(c1)Sc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1N2c1cccc2c1oc1ccccc12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.30

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
SCHEMBL20114201 0.94 ALOX5 (0.30) ALOX5
SCHEMBL20114289 0.94
SCHEMBL20114397 0.92 KDM4E (0.32) ALOX5
SCHEMBL20114164 0.92 KDM4E (0.35) ALOX5
SCHEMBL20114281 0.91 KDM4E (0.31) ALOX5
SCHEMBL20114832 0.90 ALOX5 (0.33) ALOX5
SCHEMBL20114204 0.89
SCHEMBL20114607 0.89
SCHEMBL20114241 0.88
SCHEMBL20114279 0.87 ALOX5 (0.30) ALOX5

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
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed