SCHEMBL31361480

SCHEMBL31361480

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.61
▸ KDM4A O75164 3/20 0.61
▸ KDM4B O94953 3/20 0.61
▸ KDM5B Q9UGL1 3/20 0.61
▸ GRM1 Q13255 1/20 0.58
▸ MAPT P10636 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NPC1 O15118 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ KDM5C P41229 2/20 0.55
▸ RAB9A P51151 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL31361482 0.91 ADORA3 (0.59) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL18094517 0.85 ABL1 (0.49) ADORA3KDM4EMEN1KMT2A
SCHEMBL31361553 0.83 ADORA3 (0.46) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361530 0.83 ADORA3 (0.68) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL31361531 0.80 ADORA3 (0.67) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL6196637 0.79 ABL1 (0.72) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL31361538 0.79 ADORA3 (0.64) ADORA3KDM4AKDM4BKDM5BGRM1
SCHEMBL24107690 0.78 KMT2A (0.49) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL29263352 0.78 ATR (0.70) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL7036981 0.78 ABL1 (0.55) MEN1KMT2ARAB9AHPGD

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
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