SCHEMBL31361544

SCHEMBL31361544

O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.77
KDM4A O75164 3/20 0.77
KDM4B O94953 3/20 0.77
KDM5B Q9UGL1 3/20 0.77
KDM5C P41229 1/20 0.71
GRM1 Q13255 1/20 0.69
KDM4E B2RXH2 5/20 0.66
MAPT P10636 5/20 0.66
NPC1 O15118 1/20 0.66
MAPK1 P28482 1/20 0.66
RAB9A P51151 1/20 0.66
TDP1 Q9NUW8 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
POLB P06746 1/20 0.66
NCOA1 Q15788 1/20 0.66
NCOA3 Q9Y6Q9 1/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.65

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
SCHEMBL18997293 0.87 GRM1 (0.78) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL17716976 0.85 ADORA3 (0.76) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL18997294 0.84 ADORA3 (0.80) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL18997305 0.84 ADORA3 (0.87) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL19002444 0.83 ADORA3 (0.73) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL18997288 0.83 ADORA3 (0.82) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997313 0.83 GRM1 (0.80) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL31361484 0.82 ADORA3 (0.90) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL18997311 0.81 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL18997292 0.81 GRM1 (1.00) ADORA3KDM4AKDM4BKDM5BKDM5C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746882-A1 INHIBITORS OF SMNDC1 AND THEIR THERAPEUTIC USE CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2026-05-27 EP disclosed
WO-2025017207-A1 INHIBITORS OF SMNDC1 AND THEIR THERAPEUTIC USE CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2025-01-23 WO disclosed