SCHEMBL16631201

SCHEMBL16631201

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(C4(c5cccc6c5oc5ccccc56)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
GAA P10253 1/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 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
SCHEMBL18969108 0.97 ALOX5 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL18118792 0.94 ALOX5 (0.35) ALOX5CA12CA1CA2CA9
SCHEMBL18118678 0.94 ALOX5 (0.35) ALOX5CA12CA1CA2CA9
SCHEMBL16838908 0.93 ALOX5 (0.40) ALOX5KDM4EMAPTSMN1; SMN2HDAC6
SCHEMBL18326118 0.93 ALOX5 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL16631199 0.92 ALOX5 (0.40) ALOX5KDM4EMAPTSMN1; SMN2HDAC6
SCHEMBL24434037 0.92 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL25984655 0.92 CA12 (0.33) ALOX5CA12CA1CA2CA9
SCHEMBL17804886 0.92 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL25984766 0.91 CHRNA1 (0.34) ALOX5CA12CA1CA2CA9

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