SCHEMBL28064068

SCHEMBL28064068

NC(=O)c1ccc(OCCC2CCN(OC(=O)Cc3cncs3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.53
PARP15 Q460N3 5/20 0.53
CHEK2 O96017 9/20 0.41
PARP2 Q9UGN5 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 1/20 0.37
TBXAS1 P24557 1/20 0.37
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL28064086 0.89 LTA4H (0.39) PARP10PARP15LTA4HTEAD1TEAD3
SCHEMBL28064060 0.89 LTA4H (0.39) PARP10PARP15CHEK2HRH3LTA4H
SCHEMBL28064084 0.88 TEAD1 (0.47) PARP10PARP15LTA4HTEAD1TEAD3
SCHEMBL28064087 0.87 TEAD1 (0.44) PARP10PARP15HRH3LTA4HTEAD1
SCHEMBL28064070 0.86 LTA4H (0.39) PARP10PARP15HRH3LTA4HTEAD1
SCHEMBL28064069 0.83 PPARG (0.37) CHEK2HRH3LTA4HTEAD1TEAD3
SCHEMBL28064165 0.82 CHEK2 (0.42) PARP10PARP15CHEK2PARP2HRH3
SCHEMBL2230054 0.81 PARP15 (0.58) PARP10PARP15CHEK2PARP2TEAD1
SCHEMBL28064128 0.81 TEAD1 (0.40) TEAD1TEAD3
SCHEMBL28088222 0.81 PPARG (0.37) PARP10PARP15CHEK2HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN claimed
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN disclosed