SCHEMBL22736552

SCHEMBL22736552

c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccc(-c6nc7ccccc7o6)cc45)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 9/20 0.41
NPC1 O15118 8/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 7/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
LMNA P02545 1/20 0.41
STAT1 P42224 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 4/20 0.39
USP2 O75604 2/20 0.39
HCRTR1 O43613 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL22736453 0.99 ALOX5 (0.41) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736551 0.97 ALOX5 (0.42) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736406 0.96 ALOX5 (0.40) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736443 0.96 KDM4E (0.41) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736633 0.96 KDM4E (0.41) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736050 0.96 KDM4E (0.43) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736565 0.96 KDM4E (0.43) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736051 0.96 KDM4E (0.44) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736553 0.94 KDM4E (0.42) ALOX5KDM4ENPC1ALDH1A1HPGD
SCHEMBL22736416 0.94 ALOX5 (0.41) ALOX5KDM4ENPC1ALDH1A1HPGD

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-2020242161-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-03 WO disclosed