SCHEMBL16250095

SCHEMBL16250095

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6c(sc7ccccc76)c4-5)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
NTSR1 P30989 1/20 0.32
GLA P06280 1/20 0.31
PDK2 Q15119 2/20 0.31

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
SCHEMBL16250098 0.97 ALOX5 (0.36) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL18731693 0.96 ALOX5 (0.35) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL20224325 0.96 ALOX5 (0.35) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL18731668 0.96 ALOX5 (0.35) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL20224315 0.93 ALOX5 (0.35) ALOX5PDK2
SCHEMBL20224281 0.93 MAPT (0.34) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL14681623 0.92 ALOX5 (0.36) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL16250111 0.92 ALOX5 (0.36) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL18731666 0.91 ALOX5 (0.36) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL20224314 0.91 ALOX5 (0.36) ALOX5MEN1KMT2AALDH1A1MAPT

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-2014185751-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-11-20 WO disclosed