SCHEMBL21295907

SCHEMBL21295907

[c]1cc(-c2ccccn2)c2c(c1)sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
GABRA1 P14867 1/20 0.44
KDM4E B2RXH2 8/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.40
KRAS P01116 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL31614324 0.81 MIF (0.49) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL483885 0.81 MIF (0.49) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL28583779 0.79 MIF (0.44) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL21300596 0.79 KDM4E (0.37) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL21295818 0.78 GPR3 (0.38) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21879711 0.76 GPR3 (0.43) KDM4ERAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21295631 0.74 CYP11B1 (0.43) KDM4ERAB9ANPC1MAPTALDH1A1
SCHEMBL21295768 0.73 KRAS (0.40) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL21296070 0.71 MIF (0.44) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL28725157 0.71 MIF (0.51) MIFGABRA1KDM4ERAB9ANPC1

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