SCHEMBL9529623

SCHEMBL9529623

CSC(=CC(=O)c1cc(F)ccc1F)SC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 3/20 0.39
AR P10275 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KEAP1 Q14145 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL6217309 0.86 MAPT (0.59) MAPTCES2CES1MEN1KMT2A
SCHEMBL22415506 0.81 MAPT (0.53) MAPTMEN1KMT2AMAOBAR
SCHEMBL6219515 0.79 MEN1 (0.56) MAPTCES2CES1MEN1KMT2A
SCHEMBL801254 0.78 CES2 (0.61) MAPTCES2CES1MEN1KMT2A
SCHEMBL3310538 0.77 CES2 (0.55) CES2CES1MAOBARALDH1A1
SCHEMBL3310540 0.77 CES2 (0.55) CES2CES1MAOBARALDH1A1
SCHEMBL3310535 0.77 CES2 (0.55) CES2CES1MAOBARALDH1A1
SCHEMBL31563338 0.77 ALDH1A1 (0.55) MAPTCES2CES1MEN1KMT2A
SCHEMBL31563343 0.77 ALDH1A1 (0.55) MAPTCES2CES1MEN1KMT2A
SCHEMBL4004349 0.74 CES2 (0.47) MAPTCES2CES1MEN1KMT2A

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed