SCHEMBL21763754

SCHEMBL21763754

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.46
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 1/20 0.43
NTRK1 P04629 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
PRKDC P78527 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 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
SCHEMBL20650659 0.95 AHR (0.45) AHRMEN1MAPTKMT2AHPGD
SCHEMBL22705807 0.94 ALOX5 (0.46) AHRMEN1MAPTKMT2AHPGD
SCHEMBL24285561 0.94 AHR (0.44) AHRMEN1MAPTKMT2AHPGD
SCHEMBL21763749 0.94 AHR (0.44) AHRMEN1MAPTKMT2AHPGD
SCHEMBL24982633 0.94 AHR (0.46) AHRMEN1MAPTKMT2AHPGD
SCHEMBL22252283 0.93 AHR (0.52) AHRMEN1MAPTKMT2AHPGD
SCHEMBL24982971 0.92 MMP12 (0.43) AHRMEN1MAPTKMT2AHPGD
SCHEMBL24662707 0.91 AHR (0.41) AHRMEN1MAPTKMT2AHPGD
SCHEMBL21763711 0.91 AHR (0.41) AHRMEN1MAPTKMT2AHPGD
SCHEMBL15195382 0.90 NPC1 (0.46) AHRMEN1MAPTKMT2AHPGD

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-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed