SCHEMBL23890959

SCHEMBL23890959

Ic1ccc2c(-c3ccccc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MPI P34949 1/20 0.47
TNF P01375 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
F9 P00740 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL20623154 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL21203621 0.85 TNF (0.49) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL20427371 0.80 MEN1 (0.60) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL598398 0.80 HSD17B1 (0.59) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL20623157 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL20623158 0.79 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL4331306 0.79 TNF (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL30645491 0.79 TNF (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL20623106 0.79 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTCA12
SCHEMBL12952471 0.78 MCL1 (0.46) KDM4EALDH1A1HPGDMAPTMEN1

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
EP-3518303-B1 N-(4-(8-(PHENYL)NAPHTHALEN-2-YL)PHENYL)-N,N'-DI(PHENYL)-AMINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC ELECTROLUMINESCENCE DEVICES SAMSUNG DISPLAY CO LTD (KR) 2021-10-06 EP disclosed