SCHEMBL15423205

SCHEMBL15423205

CC1(C)c2cc(-c3ccc4ncccc4c3)cc3ccc4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cn5)cc1c4c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CYP11B1 P15538 1/20 0.40
DYRK1A Q13627 2/20 0.39
CYP3A4 P08684 1/20 0.36
GRM4 Q14833 1/20 0.36
WNT1 P04628 1/20 0.35
MCL1 Q07820 1/20 0.35
AR P10275 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
ADORA2A P29274 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL18135290 0.86 NPC1 (0.41) NPC1POLBRAB9ACYP11B1DYRK1A
SCHEMBL15423191 0.82 NPC1 (0.45) NPC1POLBRAB9ADYRK1AWNT1
SCHEMBL15423168 0.80 NPC1 (0.55) NPC1POLBRAB9ADYRK1AWNT1
SCHEMBL15423189 0.80 NPC1 (0.36) NPC1POLBRAB9ADYRK1AWNT1
SCHEMBL18135287 0.78 PDGFRB (0.39) GRM4PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL15423193 0.76 NPC1 (0.50) NPC1POLBRAB9ADYRK1AWNT1
SCHEMBL15423234 0.76 NPC1 (0.53) NPC1POLBRAB9ACYP11B1DYRK1A
SCHEMBL15423182 0.76 NPC1 (0.49) NPC1POLBRAB9ADYRK1AWNT1
SCHEMBL15423192 0.75 NPC1 (0.48) NPC1POLBRAB9ADYRK1ACYP3A4
SCHEMBL16168904 0.74 CYP11B1 (0.41) NPC1RAB9ACYP11B1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559310-B2 Compound with electron injection and/or electron transport capabilities and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-31 US disclosed
US-9559310-B2 Compound with electron injection and/or electron transport capabilities and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-31 US disclosed
US-20140014925-A1 NOVEL COMPOUND WITH ELECTRON INJECTION AND/OR ELECTRON TRANSPORT CAPABILITIES AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-16 US disclosed
US-20140014925-A1 NOVEL COMPOUND WITH ELECTRON INJECTION AND/OR ELECTRON TRANSPORT CAPABILITIES AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-16 US disclosed