SCHEMBL16631111

SCHEMBL16631111

Brc1ccc(N(c2ccccc2)c2ccc(C3(c4cccc5c4sc4ccccc45)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP14 Q460N5 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL16631107 0.94 ALOX5 (0.36) ALOX5KDM4EMEN1MAPTKMT2A
SCHEMBL18118731 0.86 ALOX5 (0.36) ALOX5PARP14
SCHEMBL20089063 0.85 ALOX5 (0.35) ALOX5KDM4EMEN1MAPTKMT2A
SCHEMBL16631093 0.85 ALOX5 (0.38) ALOX5PARP14
SCHEMBL16631208 0.84 MEN1 (0.35) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL23098814 0.84 ALOX5 (0.32) ALOX5KDM4EMEN1MAPTKMT2A
SCHEMBL23098675 0.84 ALOX5 (0.32) ALOX5KDM4EMEN1MAPTKMT2A
SCHEMBL16631112 0.83 ALOX5 (0.37) ALOX5
SCHEMBL17804662 0.83 ALOX5 (0.44) ALOX5KDM4EMEN1MAPTKMT2A
SCHEMBL18118710 0.83 ALOX5 (0.38) 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