SCHEMBL17879371

SCHEMBL17879371

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5N(c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c5ccccc54)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSP90AA1 P07900 2/20 0.44
FAAH O00519 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 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
SCHEMBL13833020 0.98 ALDH1A1 (0.43) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16449653 0.98 ALDH1A1 (0.43) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16449667 0.96 ALDH1A1 (0.44) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL30804929 0.91 ALDH1A1 (0.40) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL29183656 0.91 ALDH1A1 (0.40) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL13833010 0.87 ALDH1A1 (0.38) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16449664 0.87 HDAC6 (0.41) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16271064 0.87 ALDH1A1 (0.38) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL16271047 0.87 HPGD (0.45) ALDH1A1HSP90AA1FAAHPKMHTT
SCHEMBL13832991 0.87 HDAC6 (0.41) ALDH1A1HSP90AA1FAAHPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210074927-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2021-03-11 US disclosed
US-10862047-B2 Organic electroluminescent device KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2020-12-08 US disclosed
EP-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 EP disclosed
US-10658596-B2 2020-05-19 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed