SCHEMBL13416132

SCHEMBL13416132

CC(=O)C(C)(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KIF11 P52732 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ PTPRZ1 P23471 1/20 0.40
▸ HSD11B1 P28845 5/20 0.39
▸ ESPL1 Q14674 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL10145040 0.79 ALDH1A1 (0.69) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL9293066 0.78 KMT2A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13313607 0.76 CXCR2 (0.47) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL29115354 0.76 KMT2A (0.47) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL10180000 0.73 ALDH1A1 (0.46) ALDH1A1KIF11SMN1; SMN2LMNAMAPK1
SCHEMBL9768982 0.72 KMT2A (0.48) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL1886221 0.71 MAPT (0.65) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL5786861 0.71 SMN1; SMN2 (0.65) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL11685641 0.71 LMNA (0.47) MEN1KMT2AALDH1A1KIF11SMN1; SMN2
SCHEMBL5670628 0.71 LMNA (0.47) MEN1KMT2AALDH1A1KIF11SMN1; SMN2

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-7687665-B2 2-(4-Chlorophenyl)-N-[(1R,2R)-2-(benzyloxy)cyclohexyl]-2-methylpropanamide; modulators of 11- beta hydroxyl steroid dehydrogenase type 1 and/or mineralocorticoid receptor INCYTE CORPORATION (US) 2010-03-30 — — US disclosed
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