SCHEMBL19001942

SCHEMBL19001942

c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PDK2 Q15119 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
SCHEMBL19001938 0.96 ALOX5 (0.39) ALOX5PDK2
SCHEMBL19001974 0.96 ALOX5 (0.40) ALOX5PDK2
SCHEMBL23222553 0.95 ALOX5 (0.39) ALOX5PDK2
SCHEMBL17690190 0.93 ALOX5 (0.40) ALOX5
SCHEMBL19010492 0.92 ALOX5 (0.39) ALOX5
SCHEMBL21141474 0.92 ALOX5 (0.42) ALOX5
SCHEMBL25145396 0.92 ALOX5 (0.42) ALOX5
SCHEMBL16544698 0.92 ALOX5 (0.41) ALOX5
SCHEMBL17816929 0.92 ALOX5 (0.41) ALOX5
SCHEMBL19001941 0.91 ALOX5 (0.38) ALOX5PDK2

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
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed