SCHEMBL2915228

SCHEMBL2915228

CCc1cccc(NS(C)(=O)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.53
▸ SCN9A Q15858 1/20 0.43
▸ KEAP1 Q14145 2/20 0.42
▸ CHRNB2 P17787 2/20 0.42
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ CHRNA4 P43681 2/20 0.42
▸ ATR Q13535 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ GLO1 Q04760 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR3C2 P08235 1/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNA5 P22460 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
SCHEMBL23015829 0.86 HSD11B1 (0.42) HSD11B1SCN9AKEAP1ALDH1A1KDM4E
SCHEMBL24688313 0.86 HSD11B1 (0.50) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24740725 0.85 HSD11B1 (0.49) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12049355 0.84 SCN9A (0.43) HSD11B1SCN9AKEAP1ALDH1A1KDM4E
SCHEMBL27183089 0.83 HSD11B1 (0.54) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24921048 0.81 SCN9A (0.44) HSD11B1SCN9AKEAP1ALDH1A1KDM4E
SCHEMBL25832730 0.81 HSD11B1 (0.50) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25847427 0.78 HSD11B1 (0.47) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5476374 0.76 ALDH1A1 (0.46) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5473684 0.76 ALDH1A1 (0.46) HSD11B1ALDH1A1KDM4EHPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 — — EP disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 — — CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 — — EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 — — US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 — — WO disclosed
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