SCHEMBL16731968

SCHEMBL16731968

c1ccc(-c2ncncn2)c(-c2ncncn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
EGFR P00533 1/20 0.37
HSP90AA1 P07900 2/20 0.36
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CDC25B P30305 1/20 0.32
MAPK1 P28482 3/20 0.32
ALOX15 P16050 1/20 0.32
IDO1 P14902 2/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.31
RECQL P46063 2/20 0.31

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
SCHEMBL30471775 0.88 ABCG2 (0.43) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL8356292 0.88 ABCG2 (0.43) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL28894327 0.86 ABCG2 (0.42) ALDH1A1HSD17B10TSHRMAPK1ATM
SCHEMBL28457966 0.83 PBRM1 (0.47) ALDH1A1L3MBTL1HSD17B10TSHRTDP1
SCHEMBL22574823 0.83 NPC1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6565668 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL9444918 0.83 CYP1A2 (0.50) ALDH1A1MEN1KMT2AHSP90AA1CYP3A4
SCHEMBL29889875 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL29376972 0.83 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AL3MBTL1EGFR
SCHEMBL45750 0.83 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2AL3MBTL1EGFR

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
EP-2876699-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2018-02-14 EP disclosed
US-9614166-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-04-04 US disclosed
CN-104471734-B Organic electric-field light-emitting element 新日铁住金化学株式会社 2016-11-09 CN disclosed
US-20150214495-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-07-30 US disclosed
EP-2876699-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2015-05-27 EP disclosed
CN-104471734-A Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEM CO 2015-03-25 CN disclosed