SCHEMBL7843970

SCHEMBL7843970

O=S(=O)(c1ccc2ccccc2c1)N1[CH]CC(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C1 Q04828 1/20 0.44
PKM P14618 2/20 0.43
MMP9 P14780 1/20 0.43
MCOLN3 Q8TDD5 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
ELANE P08246 1/20 0.42
KMT2A Q03164 2/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL6946762 0.78 MMP9 (0.52) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL7846611 0.78 MMP9 (0.52) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL6945270 0.76 MMP9 (0.53) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL6951034 0.76 MMP9 (0.53) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL6949077 0.75 MMP9 (0.50) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL7844033 0.75 MMP9 (0.50) BDKRB2ALDH1A1KDM4EAKR1C3AKR1C1
SCHEMBL5415494 0.69 ALDH1A1 (0.45) ALDH1A1KDM4EAKR1C3AKR1C1PKM
SCHEMBL5410253 0.68 ECE1 (0.48) ALDH1A1KDM4EAKR1C3MMP9MCOLN3
SCHEMBL5399015 0.68 ECE1 (0.48) ALDH1A1KDM4EAKR1C3MMP9MCOLN3
SCHEMBL5412857 0.68 MMP1 (0.43) ALDH1A1KDM4EAKR1C3AKR1C1MMP9

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-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO disclosed