SCHEMBL25375699

SCHEMBL25375699

CCOC(=O)C(=O)c1ccc(Br)cc1.CCOC(=O)C(F)(F)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ACHE P22303 2/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NHERF1 O14745 1/20 0.40
HTT P42858 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL1172128 0.89 NPSR1 (0.48) MAPTNPSR1LMNAKMT2AMAPK1
SCHEMBL12014193 0.84 LMNA (0.45) MAPTNPSR1LMNAKMT2AMAPK1
SCHEMBL696315 0.84 KMT2A (0.57) MAPTNPSR1LMNAKMT2AMAPK1
SCHEMBL13199136 0.81 TSHR (0.49) NPSR1LMNAMAPK1ALDH1A1CYP1A2
SCHEMBL11845871 0.79 MAPT (0.53) MAPTNPSR1LMNAKMT2AMAPK1
SCHEMBL859597 0.79 CES2 (0.60) MAPTNPSR1KMT2AMEN1CES2
SCHEMBL2879531 0.79 CA1 (0.58) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL12003891 0.78 MAOB (0.47) MAPTNPSR1LMNAKMT2AMAPK1
SCHEMBL12004362 0.78 SRD5A2 (0.47) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL21636260 0.76 MAPT (0.49) MAPTNPSR1LMNAKMT2AMEN1

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-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed