SCHEMBL17692002

SCHEMBL17692002

c1ccc2c(c1)ccc1cc(-c3ccc4cnccc4c3)c3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.57
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
TNF P01375 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL17692014 0.95 TDO2 (0.52) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17691983 0.93 TDO2 (0.56) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692067 0.91 TDO2 (0.51) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692322 0.89 TDO2 (0.54) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692040 0.86 TDO2 (0.52) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692316 0.85 TDO2 (0.59) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692318 0.84 TDO2 (0.56) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17692306 0.84 TDO2 (0.58) TDO2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL20698345 0.83 NPC1 (0.45) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL2903602 0.82 GSTP1 (0.46) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6

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 3 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-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