SCHEMBL17691970

SCHEMBL17691970

c1ccc2c(c1)c(-c1ccc3nccnc3c1)cc1ccc3cc(-c4ccc5nccnc5c4)ccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
TGFBR1 P36897 5/20 0.39
ERN1 O75460 1/20 0.38
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ACVR1 Q04771 2/20 0.34
DYRK1A Q13627 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
SCHEMBL17691978 0.91 CYP3A4 (0.45) NPC1POLBRAB9ATGFBR1CYP3A4
SCHEMBL17691972 0.90 CYP3A4 (0.40) NPC1POLBRAB9ATGFBR1CYP3A4
SCHEMBL17691973 0.89 TDO2 (0.50) NPC1POLBRAB9ATGFBR1ERN1
SCHEMBL22617880 0.89 NPC1 (0.37) NPC1POLBRAB9ATGFBR1ERN1
SCHEMBL17692020 0.84 POLB (0.54) NPC1POLBRAB9ATGFBR1ERN1
SCHEMBL17692319 0.83 CYP3A4 (0.42) NPC1POLBRAB9ATGFBR1CYP1A2
SCHEMBL17691848 0.82 CYP3A4 (0.55) NPC1POLBRAB9ATGFBR1ERBB2
SCHEMBL20698344 0.81 TDO2 (0.50) NPC1POLBRAB9ATGFBR1CYP1A2
SCHEMBL17692015 0.81 NPC1 (0.45) NPC1POLBRAB9AERN1CYP1A2
SCHEMBL20698637 0.80 MAPT (0.34) NPC1RAB9ATGFBR1CYP1A2CYP11B1

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