SCHEMBL20079376

SCHEMBL20079376

CC(C)n1c(=S)[nH]c2ccc(C#N)c(F)c21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.32
PSMB8 P28062 1/20 0.32
XDH P47989 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20656265 0.84 ALDH1A1 (0.43) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL18358723 0.84 PSMB8 (0.44) PGRALDH1A1HPGDARPSMB8
SCHEMBL20079384 0.83 PGR (0.58) PGRALDH1A1KDM4EAR
SCHEMBL20079368 0.80 ALDH1A1 (0.47) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL20079416 0.80 ALDH1A1 (0.42) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL20079375 0.79 ALDH1A1 (0.51) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL20079372 0.74 PGR (0.49) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL20079377 0.73 ALDH1A1 (0.46) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL20079374 0.71 ALDH1A1 (0.55) PGRALDH1A1HPGDL3MBTL1MAPT
SCHEMBL16883679 0.69 PGR (0.46) PGRALDH1A1HPGDL3MBTL1MAPT

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
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed