SCHEMBL13833102

SCHEMBL13833102

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4N5c4ccccc4)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ PDE6D O43924 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13833067 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16449653 0.87 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL13833020 0.87 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22002585 0.86 CYP1A2 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16884752 0.85 PDE6D (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16884776 0.85 PDE6D (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16884753 0.85 PDE6D (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16884760 0.85 PDE6D (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17879371 0.85 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16449667 0.85 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10177312-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2019-01-08 — — US disclosed
EP-2705550-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-07-05 — — EP disclosed
US-20140070146-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-03-13 — — US disclosed
US-20140070146-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-03-13 — — US disclosed
WO-2012149999-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-08 — — WO disclosed
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