SCHEMBL28088153

SCHEMBL28088153

O=C(Cc1cncs1)ON1CCC(CCOc2ccc(F)cc2Br)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.33
AR P10275 1/20 0.33
GRM2 Q14416 1/20 0.33
KMT2A Q03164 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PREP P48147 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
RORC P51449 1/20 0.32

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 0.85 LTA4H (0.39) MAPTSMN1; SMN2KMT2AHCRTR1HCRTR2
SCHEMBL28088346 0.84 RAB9A (0.38) HRH3RAB9ANPC1MAPTPKM
SCHEMBL2227353 0.82 GRIN2B (0.41) HRH3RAB9ANPC1PKMKDM4E
SCHEMBL28088194 0.82 PPARG (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28064067 0.82 KDM4E (0.40) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL28064102 0.82 KDM4E (0.41) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL28064203 0.80 PPARG (0.46)
SCHEMBL28064163 0.80 ALDH1A1 (0.38) MAPTKDM4ESMN1; SMN2HPGDKMT2A
SCHEMBL28064081 0.80 PTGDR2 (0.40) KMT2AMEN1
SCHEMBL28064084 0.80 TEAD1 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed