SCHEMBL6938741

SCHEMBL6938741

CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(CBr)c2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
CCR1 P32246 1/20 0.41
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 6/20 0.40
DDR1 Q08345 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
ATAD2 Q6PL18 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD4 O60885 2/20 0.38
HSD11B1 P28845 1/20 0.38
CNR2 P34972 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
SCHEMBL6946298 1.00 ALDH1A1 (0.41) ALDH1A1PKMCCR1KDM4EEPHX2
SCHEMBL7805474 1.00 ALDH1A1 (0.41) ALDH1A1PKMCCR1KDM4EEPHX2
SCHEMBL8796990 0.81 CCR1 (0.37) ALDH1A1PKMCCR1KDM4EEPHX2
SCHEMBL6941044 0.81 BRD4 (0.42) ALDH1A1PKMCCR1EPHX2BRD4
SCHEMBL6943022 0.81 BRD4 (0.42) ALDH1A1PKMCCR1EPHX2BRD4
SCHEMBL7815258 0.81 BRD4 (0.42) ALDH1A1PKMCCR1EPHX2BRD4
SCHEMBL6938724 0.78 CCR1 (0.43) ALDH1A1PKMCCR1KDM4EEPHX2
SCHEMBL7811457 0.77 BDKRB2 (0.62)
SCHEMBL6942963 0.75 TSHR (0.54) ALDH1A1PKMKDM4ESMN1; SMN2
SCHEMBL6945181 0.71 KMT2A (0.56) ALDH1A1KDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
EP-1155013-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-21 EP disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed
WO-2000050418-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2000-08-31 WO disclosed