SCHEMBL20150041

SCHEMBL20150041

C=C[S@](=N)(=O)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.37
KAT6A Q92794 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
ESR1 P03372 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR2 Q92731 2/20 0.36
ATM Q13315 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
HSD11B1 P28845 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EDNRA P25101 1/20 0.35
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
MYC P01106 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3391401 0.79 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4EL3MBTL1TP53
SCHEMBL15023628 0.76 TSHR (0.43) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
Propene SCHEMBL27388590 0.76 MYC (0.46) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
SCHEMBL20156922 0.74 TSHR (0.41) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
SCHEMBL20149699 0.74 TSHR (0.41) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
Formaldehyde SCHEMBL8587201 0.72 MYC (0.50) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
Ethylene SCHEMBL8654498 0.72 MYC (0.50) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
SCHEMBL10363485 0.72 CA1 (0.43) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
SCHEMBL1951142 0.72 TSHR (0.43) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1
SCHEMBL305238 0.72 TSHR (0.43) RAPGEF4KAT6AALDH1A1KDM4EL3MBTL1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed