SCHEMBL28064072

SCHEMBL28064072

O=C(Cc1cscn1)ON1CCC(CCOc2ccccc2OCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGLL Q99685 1/20 0.36
C5AR1 P21730 1/20 0.36
CHRM4 P08173 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL28064077 0.89 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL28064089 0.84 PTGDR2 (0.40) MGLLDRD2
SCHEMBL28064071 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28064078 0.83 TEAD1 (0.45) ALDH1A1KDM4ECHRM4TEAD1TEAD3
SCHEMBL2228262 0.82 GRIN2B (0.48) SMN1; SMN2CHRM4
SCHEMBL28827928 0.82 MEN1 (0.39) MEN1KMT2ASMN1; SMN2TEAD1TEAD3
SCHEMBL28064082 0.81 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28088346 0.81 RAB9A (0.38) ALDH1A1KDM4ESMN1; SMN2BCHEACHE
SCHEMBL28064075 0.80 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28064062 0.79 RAB9A (0.39) ALDH1A1MEN1KMT2ANPSR1TEAD1

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