SCHEMBL21295977

SCHEMBL21295977

[c]1c2ccccc2c(-c2ccncc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.49
NOTUM Q6P988 1/20 0.44
MAPK14 Q16539 7/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ATAD2 Q6PL18 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 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
SCHEMBL27862684 0.85 IMPDH2 (0.42) IMPDH2NOTUMMAPK14MAPTLMNA
SCHEMBL27845487 0.83 MAPK9 (0.42) IMPDH2NOTUMCYP3A4
SCHEMBL1820644 0.82 ACHE (0.45) MAPTLMNAMAPK1KDM4EALDH1A1
SCHEMBL11910167 0.82 NOTUM (0.57) IMPDH2NOTUMMAPK14MAPTLMNA
SCHEMBL29538964 0.82 NOTUM (0.57) IMPDH2NOTUMMAPK14MAPTLMNA
Hydrochloric Acid SCHEMBL30562865 0.80 NOTUM (0.55) IMPDH2NOTUMMAPK14MAPTLMNA
Iodide SCHEMBL30562853 0.80 NOTUM (0.55) IMPDH2NOTUMMAPK14MAPTLMNA
Bromide SCHEMBL30562872 0.80 NOTUM (0.55) IMPDH2NOTUMMAPK14MAPTLMNA
SCHEMBL21295826 0.79 CYP2A6 (0.50) MAPTLMNAHSD17B10KDM4ECYP1A2
SCHEMBL15453046 0.78 ACHE (0.42) MAPTLMNAHSD17B10MAPK1CYP1A2

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-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
CN-105418485-A Novel green-ray host compound and preparation method and application thereof JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2016-03-23 CN disclosed