SCHEMBL5345378

SCHEMBL5345378

CC1=C(C(=O)OCC(C)C)C(c2cccc(Cl)c2)NC(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
ADORA2B P29275 4/20 0.64
ADORA1 P30542 1/20 0.64
MCL1 Q07820 1/20 0.64
HTT P42858 1/20 0.62
KIF11 P52732 1/20 0.61
MAPK1 P28482 1/20 0.58
PKM P14618 1/20 0.55
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL5351765 0.89 KIF11 (0.77) ADORA2BHTTKIF11MAPK1PKM
SCHEMBL5337520 0.87 MAPT (0.66) MAPTADORA2BADORA1MCL1KIF11
SCHEMBL5339172 0.86 KIF11 (0.65) ADORA2BHTTKIF11MAPK1PKM
SCHEMBL5568079 0.85 HTT (0.66) ADORA2BHTTKIF11MAPK1PKM
SCHEMBL6340753 0.84 PKM (0.77) ADORA2BKIF11PKMGAA
SCHEMBL10113224 0.82 MAPT (0.82) MAPTADORA2BADORA1MCL1GAA
SCHEMBL10113452 0.81 HTT (0.66) ADORA2BHTTKIF11MAPK1PKM
SCHEMBL16323394 0.81 TSHR (0.70) HTTPKMGAA
SCHEMBL6348122 0.80 HTT (0.75) HTTKIF11MAPK1PKMPOLB
SCHEMBL10144749 0.79 SMN1; SMN2 (0.81) ADORA2BHTTKIF11MAPK1GAA

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
WO-2025215108-A1 DUAL G9A/GSK-3ß INHIBITORS UNIVERSITAT DE BARCELONA (ES) 2025-10-16 WO claimed
WO-2007101213-A2 NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-09-07 WO disclosed