SCHEMBL20156922

SCHEMBL20156922

Cc1ccccc1[S@@](C)(=N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
KAT6A Q92794 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
ESR1 P03372 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 2/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GAA P10253 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
SCHEMBL20149699 1.00 TSHR (0.41) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL15023628 0.83 TSHR (0.43) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL12307 0.80 L3MBTL1 (0.50) TSHRACHERAPGEF4ALDH1A1KDM4E
SCHEMBL28278788 0.80 L3MBTL1 (0.50) TSHRACHERAPGEF4ALDH1A1KDM4E
SCHEMBL10363485 0.79 CA1 (0.43) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL24336054 0.79 KEAP1 (0.36) TSHRALDH1A1L3MBTL1TP53ESR1
SCHEMBL305238 0.78 TSHR (0.43) TSHRACHERAPGEF4KAT6AALDH1A1
Bromide SCHEMBL28167960 0.78 L3MBTL1 (0.48) TSHRACHERAPGEF4ALDH1A1KDM4E
SCHEMBL4533183 0.77 TSHR (0.47) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL29468592 0.77 ALDH1A1 (0.55) TSHRACHERAPGEF4ALDH1A1KDM4E

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed