SCHEMBL16631812

SCHEMBL16631812

C1=CCCC(c2ccc(Nc3ccc(C4(c5cccc6c5oc5ccccc56)c5ccccc5-c5ccccc54)cc3)cc2)=C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.35
ALOX5 P09917 2/20 0.34

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
SCHEMBL17816707 0.85 ALOX5 (0.45) CDK2ALOX5
SCHEMBL17774323 0.84 ALOX5 (0.40) CDK2ALOX5
SCHEMBL16631108 0.83 KDM4E (0.39) CDK2ALOX5
SCHEMBL18118816 0.80 ALOX5 (0.35) ALOX5
SCHEMBL17805027 0.79 ALOX5 (0.45) CDK2ALOX5
SCHEMBL18118817 0.78 ALOX5 (0.30) ALOX5
SCHEMBL22147071 0.77 PDK2 (0.35)
SCHEMBL18646177 0.76 ALOX5 (0.30) ALOX5
SCHEMBL440074 0.75 ALOX5 (0.43) ALOX5
SCHEMBL22698886 0.74 ALOX5 (0.46) 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-2015050391-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-09 WO disclosed