SCHEMBL8028211

SCHEMBL8028211

Cc1csc2[c]cccc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL21295628 0.71 CYP17A1 (0.36) CYP2A6CYP1A2
SCHEMBL4806671 0.68 MAPK1 (0.32)
SCHEMBL16668988 0.67 GPR3 (0.33)
SCHEMBL3483613 0.67 CYP2A6 (0.33) CYP2A6
SCHEMBL4801278 0.64 MRGPRX1 (0.32)
SCHEMBL12301 0.64 MAPT (0.54) CYP2A6CYP1A2
SCHEMBL11320385 0.62 MAPT (0.52) CYP2A6CYP1A2
SCHEMBL8404365 0.62 CYP1A2 (0.48) CYP2A6CYP1A2
SCHEMBL9390596 0.62 CYP1A2 (0.42) CYP2A6CYP1A2
SCHEMBL668081 0.62 CYP1A2 (0.48) CYP2A6CYP1A2

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 5 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
US-6124356-A Fungicides ZENECA LIMITED (GB) 2000-09-26 US disclosed