SCHEMBL27749032

SCHEMBL27749032

CNc1ccc(C(F)(F)F)cc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
MAT2A P31153 1/20 0.45
MCL1 Q07820 3/20 0.43
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 1/20 0.41
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TACR1 P25103 1/20 0.40
MAPT P10636 3/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
KDR P35968 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL27727993 0.83 MAT2A (0.43) HSD11B1MAT2APDE2APDE10AALDH1A1
SCHEMBL28320613 0.79 KIF11 (0.47) MAT2AALDH1A1MEN1KMT2ATACR1
SCHEMBL1768902 0.78 ALDH1A1 (0.54) MCL1PDE2AALDH1A1MEN1KMT2A
SCHEMBL27749079 0.76 HSD11B1 (0.40) HSD11B1MAT2ASTK10SLKALDH1A1
SCHEMBL31449901 0.76 HSD11B1 (0.46) HSD11B1MCL1PDE2APDE10ASTK10
SCHEMBL6862522 0.75 CYP2A6 (0.44) HSD11B1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL883518 0.74 MCL1 (0.51) MCL1ALDH1A1MAPTGAATRPV1
SCHEMBL28828302 0.73 HSD11B1 (0.50) HSD11B1MCL1PDE2APDE10ASTK10
SCHEMBL15714285 0.72 KIF11 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL19785385 0.71 PDE2A (0.47) HSD11B1MCL1PDE2AALDH1A1MEN1

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
CN-101331124-B Novel capsaicin receptor ligands and their use for the manufacture of medicaments GRUENENTHAL GMBH 2013-08-14 CN disclosed
CN-101331124-A Novel capsaicin receptor ligands and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2008-12-24 CN disclosed