SCHEMBL21295877

SCHEMBL21295877

[c]1c(-c2ccccn2)ccc2sc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
GABRA1 P14867 1/20 0.46
KDM4E B2RXH2 10/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KRAS P01116 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 4/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 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
SCHEMBL18317448 0.77 KDM4E (0.46) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL2591778 0.76 GPR3 (0.45) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21295730 0.75 MIF (0.44) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL21295683 0.74 NPC1 (0.42) KDM4ERAB9ANPC1MAPTTP53
SCHEMBL28570307 0.72 GABRA1 (0.44) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL21295731 0.71 KDM4E (0.41) KDM4ERAB9ANPC1MAPTTP53
SCHEMBL2585045 0.71 GPR3 (0.39) KDM4ERAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2588917 0.71 GPR3 (0.39) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21295835 0.71 MIF (0.43) MIFGABRA1KDM4ERAB9ANPC1
SCHEMBL16867204 0.70 PIK3CD (0.50) 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