SCHEMBL21296038

SCHEMBL21296038

[c]1ccc2sc3ccccc3c2c1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2A6 P11509 7/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2B6 P20813 3/20 0.36
CYP2C19 P33261 2/20 0.36
IDO1 P14902 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2E1 P05181 2/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 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
SCHEMBL21295660 0.84 GPR3 (0.38) NPC1RAB9ACYP3A4ALDH1A1CYP1A2
SCHEMBL21295686 0.84 GPR3 (0.43) NPC1RAB9ACYP3A4ALDH1A1CYP1A2
SCHEMBL21295945 0.81 NPC1 (0.41) NPC1RAB9ACYP2A6CYP3A4ALDH1A1
SCHEMBL16428645 0.75 GPR3 (0.38) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL21296070 0.74 MIF (0.44) NPC1RAB9AALDH1A1CYP1A2LRRK2
SCHEMBL6613858 0.73 CYP11B1 (0.50) NPC1RAB9ACYP2A6CYP3A4ALDH1A1
SCHEMBL21295624 0.72 CYP2A6 (0.45) RAB9ACYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL21295631 0.72 CYP11B1 (0.43) NPC1RAB9ACYP2A6CYP3A4ALDH1A1
SCHEMBL21295816 0.71 CYP11B1 (0.42) NPC1RAB9ACYP2A6CYP3A4ALDH1A1
SCHEMBL21295855 0.70 CYP2A6 (0.45) NPC1RAB9ACYP2A6CYP3A4ALDH1A1

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
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed