SCHEMBL31286662

SCHEMBL31286662

CC(C)OC(=O)Nc1cncc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
ROCK2 O75116 1/20 0.43
ALOX12 P18054 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL23771028 0.83 HTT (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31286944 0.79 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12011569 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL25989633 0.78 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30523108 0.78 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5342000 0.78 SMN1; SMN2 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1502539 0.78 NAMPT (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4167659 0.77 HPGD (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1559057 0.76 HTT (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL31287149 0.76 HPGD (0.68) MEN1KMT2AKDM4EALDH1A1MAPT

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-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 EP disclosed
WO-2025022093-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-01-30 WO disclosed