SCHEMBL8094620

SCHEMBL8094620

[c]1ccsc1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP17A1 P05093 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
EIF4H Q15056 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL8094589 0.76 CYP2A6 (0.52) MAPTLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL4591209 0.74 ALDH1A1 (0.36) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL6069115 0.68 TSHR (0.44) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL4576900 0.65 KDM4E (0.48) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8096621 0.65 CYP1A2 (0.35) NPC1RAB9ACYP2C9CYP1A2CYP2D6
SCHEMBL8635960 0.65 PDPK1 (0.42) RAB9ANOS1CYP2A6
SCHEMBL9728 0.63 MAPT (1.00) MAPTLMNASMN1; SMN2NOTUMKDM4E
SCHEMBL1356085 0.62 CYP17A1 (0.70) MAPTLMNANOTUMCYP3A4CYP2C9
SCHEMBL21295909 0.62 MAPK14 (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL21295814 0.62 MAPK14 (0.39) MAPTLMNASMN1; SMN2NPC1RAB9A

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 5 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
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed