SCHEMBL17691978

SCHEMBL17691978

c1ccc2c(c1)ccc1cc(-c3ccc4nccnc4c3)c3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TGFBR1 P36897 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
GSK3B P49841 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 3/20 0.37
CYP11B1 P15538 1/20 0.36
RECQL P46063 1/20 0.36
TDO2 P48775 1/20 0.35
ACVR1 Q04771 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 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
SCHEMBL17691972 0.93 CYP3A4 (0.40) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL17691970 0.91 NPC1 (0.40) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL22617880 0.89 NPC1 (0.37) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL17692319 0.88 CYP3A4 (0.42) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL17691977 0.85 CYP3A4 (0.58) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL17692302 0.83 CYP3A4 (0.50) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL17692015 0.83 NPC1 (0.45) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL20698344 0.81 TDO2 (0.50) CYP3A4KDM4ETGFBR1NPC1RAB9A
SCHEMBL17691973 0.81 TDO2 (0.50) CYP3A4KDM4ETGFBR1NPC1RAB9A
SCHEMBL17691974 0.81 NPC1 (0.58) CYP3A4KDM4EMAPTALDH1A1NPC1

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