SCHEMBL4027787

SCHEMBL4027787

CS(=O)(=O)Cc1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 9/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
PRSS1 P07477 2/20 0.43
F2 P00734 1/20 0.43
FAAH O00519 1/20 0.42
PRSS2 P07478 1/20 0.42
ELANE P08246 1/20 0.42
PRTN3 P24158 1/20 0.42
PRSS3 P35030 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42

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
Bromide SCHEMBL3294305 0.98 CHKA (0.53) CHKAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL28278790 0.82 CA2 (0.58) SMN1; SMN2KMT2APRSS1F2FAAH
SCHEMBL92893 0.82 CA2 (0.58) SMN1; SMN2KMT2APRSS1F2FAAH
Bromide SCHEMBL28167961 0.80 CA2 (0.56) SMN1; SMN2KMT2APRSS1F2FAAH
Sulfuric Acid SCHEMBL28325623 0.77 PRSS1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL28195609 0.77 CA2 (0.52) ALDH1A1KMT2APRSS1F2FAAH
SCHEMBL5304667 0.77 TP53 (0.64) CHKAALDH1A1SMN1; SMN2LMNAHTT
Chloroform SCHEMBL28290993 0.75 PRSS1 (0.50) ALDH1A1HTTMEN1KMT2APRSS1
Carbon Tetrachloride SCHEMBL28292391 0.75 PRSS1 (0.50) KMT2APRSS1F2FAAHPRSS2
Hydrochloric Acid SCHEMBL5155076 0.75 ALDH1A1 (0.61) CHKAALDH1A1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed