SCHEMBL21295850

SCHEMBL21295850

[c]1ccc2sc(-c3ccccn3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
GLA P06280 2/20 0.49
CYP19A1 P11511 1/20 0.43
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.39
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL21295676 0.88 KDM4E (0.49) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL29415478 0.80 CYP19A1 (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL403651 0.80 CYP19A1 (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL30103498 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL27657937 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL2517455 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL30109437 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6230863 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL29675208 0.79 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL13299935 0.79 KDM4E (0.61) KDM4ENPC1RAB9AMAPTGLA

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