SCHEMBL1421973

SCHEMBL1421973

c1ncnc(-c2ccc(-c3ncncn3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
CLK4 Q9HAZ1 1/20 0.37
ADRB2 P07550 1/20 0.37
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
CYP2A6 P11509 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
SCHEMBL6048308 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3119508 0.87 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL195814 0.87 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5498680 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL28489616 0.87 METAP2 (0.39) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL582179 0.87 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5572579 0.85 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL36826 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL9050716 0.84 CYP17A1 (0.36) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL28454725 0.84 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 10 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
EP-2296772-B1 AMPHIPHILIC PROTEINS AS MORPHOLOGY MODIFIERS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2017-08-02 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
US-20110159050-A1 AMPHIPHILIC PROTEINS AS MORPHOLOGY MODIFIERS BASF SE (DE) 2011-06-30 US disclosed
EP-2296772-A1 AMPHIPHILIC PROTEINS AS MORPHOLOGY MODIFIERS BASF SE (DE) 2011-03-23 EP disclosed
WO-2010003811-A1 AMPHIPHILIC PROTEINS AS MORPHOLOGY MODIFIERS BASF SE (DE) 2010-01-14 WO disclosed