SCHEMBL21296050

SCHEMBL21296050

[c]1ccc(-c2ccccn2)c2sc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
GABRA1 P14867 1/20 0.43
KRAS P01116 1/20 0.43
KDM4E B2RXH2 8/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.37
PRKCI P41743 1/20 0.36
LMNA P02545 3/20 0.36
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL21295913 0.81 KRAS (0.41) MIFGABRA1KRASKDM4ERAB9A
SCHEMBL21295649 0.78 RAB9A (0.36) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16838922 0.77 MIF (0.49) MIFGABRA1KRASKDM4ERAB9A
SCHEMBL21295816 0.75 CYP11B1 (0.42) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL21295965 0.75 KRAS (0.39) MIFGABRA1KRASKDM4ERAB9A
SCHEMBL28583779 0.72 MIF (0.44) MIFGABRA1KRASKDM4ERAB9A
SCHEMBL21295835 0.71 MIF (0.43) MIFGABRA1KRASKDM4ERAB9A
SCHEMBL21295650 0.70 GPR3 (0.40) KDM4ERAB9AALDH1A1MAPTATM
SCHEMBL29011295 0.70 KDM4E (0.45) KDM4ERAB9ANPC1TP53SMN1; SMN2
SCHEMBL21296070 0.70 MIF (0.44) MIFGABRA1KRASKDM4ERAB9A

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