SCHEMBL15823716

SCHEMBL15823716

Brc1ccccc1Cn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.42
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G2A P14555 1/20 0.38
PPARG P37231 1/20 0.37
CYP2A13 Q16696 1/20 0.37
FEN1 P39748 1/20 0.36
PTGES2 Q9H7Z7 2/20 0.36
DNM1 Q05193 1/20 0.36
PTGES O14684 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL15832127 0.97 TSPO (0.40) TSPOTSHRHTTMEN1KMT2A
SCHEMBL15832273 0.97 TSPO (0.40) TSPOTSHRHTTMEN1KMT2A
SCHEMBL31022839 0.96 TSPO (0.48) TSPOTSHRHTTMEN1KMT2A
SCHEMBL29244218 0.96 TSPO (0.48) TSPOTSHRHTTMEN1KMT2A
SCHEMBL15832276 0.91 TSPO (0.42) TSPOKMT2AALDH1A1LMNAPLA2G2A
SCHEMBL17282628 0.88 TSPO (0.40) TSPOKMT2ALMNAPLA2G2APTGES2
SCHEMBL15832275 0.85 KDM4E (0.46) TSPOTSHRHTTMEN1KMT2A
SCHEMBL17050067 0.83 PPARG (0.34) TSPOPLA2G2APPARGPTGES2PTGES
SCHEMBL23131635 0.80 FABP4 (0.36) TSPOTSHRHTTMEN1KMT2A
SCHEMBL28059254 0.79 HTT (0.51) TSHRHTTMEN1KMT2ANPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104871329-B Organic electroluminescence device 默克专利有限公司 2017-10-24 CN disclosed
EP-2936577-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-12-28 EP disclosed
US-20150340621-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340621-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340621-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
EP-2936577-A1 ORGANIC ELECTROLUMINESCENT DEVICE Merck Patent GmbH (DE) 2015-10-28 EP disclosed
CN-104871329-A Organic electroluminescent device MERCK PATENT GMBH 2015-08-26 CN disclosed
WO-2014094964-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094964-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed