SCHEMBL6941044

SCHEMBL6941044

O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CC[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
CCR1 P32246 1/20 0.42
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
ACLY P53396 1/20 0.38
HTT P42858 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CNR2 P34972 1/20 0.38
CNR1 P21554 1/20 0.38
RORC P51449 2/20 0.37
EPHX2 P34913 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL7815258 1.00 BRD4 (0.42) BRD4CCR1ALDH1A1PKMTSHR
SCHEMBL6943022 1.00 BRD4 (0.42) BRD4CCR1ALDH1A1PKMTSHR
SCHEMBL6938724 0.85 CCR1 (0.43) CCR1ALDH1A1PKMTSHRLMNA
SCHEMBL6942963 0.81 TSHR (0.54) ALDH1A1PKMTSHRLMNAKMT2A
SCHEMBL6938741 0.81 ALDH1A1 (0.41) BRD4CCR1ALDH1A1PKMCNR2
SCHEMBL6946298 0.81 ALDH1A1 (0.41) BRD4CCR1ALDH1A1PKMCNR2
SCHEMBL7805474 0.81 ALDH1A1 (0.41) BRD4CCR1ALDH1A1PKMCNR2
SCHEMBL8796990 0.78 CCR1 (0.37) CCR1ALDH1A1PKMTSHRLMNA
SCHEMBL6945181 0.78 KMT2A (0.56) ALDH1A1TSHRLMNAHPGDKMT2A
SCHEMBL7818803 0.75 TSHR (0.46) ALDH1A1TSHRLMNAKMT2APOLB

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