SCHEMBL31361489

SCHEMBL31361489

O=C(O)CCNC(=O)c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.76
KDM4A O75164 4/20 0.76
KDM4B O94953 4/20 0.76
KDM5B Q9UGL1 4/20 0.76
GRM1 Q13255 1/20 0.69
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM5C P41229 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 2/20 0.58
MAPK1 P28482 2/20 0.58
RAB9A P51151 1/20 0.58
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
SLC2A1 P11166 1/20 0.56

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
SCHEMBL31361515 0.89 ADORA3 (0.80) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361504 0.85 ADORA3 (0.63) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361484 0.85 ADORA3 (0.90) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361538 0.82 ADORA3 (0.64) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997292 0.82 GRM1 (1.00) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18997305 0.81 ADORA3 (0.87) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL16291393 0.81 ADORA3 (0.83) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361555 0.80 ADORA3 (0.62) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361485 0.80 ADORA3 (0.62) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18230323 0.80 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BGRM1

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