SCHEMBL16631349

SCHEMBL16631349

N=C(/C=C(\NCn1c2ccccc2c2c3oc4ccccc4c3ccc21)c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19570182 0.80 — —
SCHEMBL17286997 0.73 MEN1 (0.31) MEN1CYP2C19KMT2A
SCHEMBL21599367 0.71 PTGER4 (0.39) MEN1KMT2A
SCHEMBL18645748 0.71 PTGER4 (0.37) MEN1KMT2A
SCHEMBL15964278 0.70 ALDH1A1 (0.46) MEN1CYP2C19KMT2A
SCHEMBL21599401 0.69 TSPO (0.34) MEN1KMT2A
SCHEMBL21599362 0.68 TSPO (0.34) —
SCHEMBL23045931 0.67 CYP2C19 (0.34) ALOX5MEN1CYP2C19KMT2A
SCHEMBL20032288 0.66 ALOX5 (0.42) ALOX5
SCHEMBL21426090 0.66 CYP2C19 (0.34) ALOX5MEN1CYP2C19KMT2A

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
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