SCHEMBL23628844

SCHEMBL23628844

N#CS[C@H](C=O)Cc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
MME P08473 2/20 0.35
MAOB P27338 4/20 0.34
NAAA Q02083 1/20 0.34
CTSC P53634 1/20 0.33
ACE P12821 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAOA P21397 3/20 0.33
TRPA1 O75762 1/20 0.33
PYCR1 P32322 1/20 0.32
GPR34 Q9UPC5 1/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL23628847 0.73 LMNA (0.36) CTSLCTSSCTSK
SCHEMBL2269305 0.68 LOXL2 (0.43) DPP4MMEMAOBTRPA1DPP7
SCHEMBL2268274 0.68 LOXL2 (0.43) DPP4MMEMAOBTRPA1DPP7
SCHEMBL4011260 0.68 TRPA1 (0.41) MMEMAOBACETRPA1
SCHEMBL12809801 0.68 LOXL2 (0.43) DPP4MMEMAOBTRPA1DPP7
SCHEMBL4073531 0.67 LMNA (0.39)
SCHEMBL8693276 0.67 TRPA1 (0.44) MAOBMAOATRPA1
SCHEMBL13258407 0.67 CTSS (0.35) DPP4MAOBACEMAOATRPA1
SCHEMBL29144750 0.67 MAPT (0.38) MME
SCHEMBL15141781 0.66 PPARG (0.41)

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
EP-3846793-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. (US) 2021-07-14 EP disclosed