SCHEMBL17692015

SCHEMBL17692015

c1cnc2cc(-c3ccc4ccc(-c5cc6ccc7ccccc7c6c6ccccc56)cc4c3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NR4A2 P43354 1/20 0.40
DYRK1A Q13627 1/20 0.38
GSK3B P49841 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL20698131 0.86 NPC1 (0.43) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691974 0.85 NPC1 (0.58) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17692028 0.84 CYP3A4 (0.42) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691977 0.83 CYP3A4 (0.58) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691978 0.83 CYP3A4 (0.45) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691955 0.83 CYP3A4 (0.56) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691864 0.83 CYP3A4 (0.56) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17692020 0.82 POLB (0.54) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17692076 0.81 CYP3A4 (0.54) NPC1POLBRAB9ACYP3A4ALDH1A1
SCHEMBL17691970 0.81 NPC1 (0.40) NPC1POLBRAB9ACYP3A4ALDH1A1

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-10826000-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-03 US disclosed
US-20190036043-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-01-31 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111664-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed