SCHEMBL6945181

SCHEMBL6945181

O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GSTO1 P78417 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 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
SCHEMBL6942963 0.87 TSHR (0.54) KMT2AALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL7818803 0.81 TSHR (0.46) KMT2AALDH1A1TSHRPOLBHTT
SCHEMBL6938724 0.80 CCR1 (0.43) KMT2AALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL6941044 0.78 BRD4 (0.42) KMT2AALDH1A1NPSR1TSHRPOLB
SCHEMBL6943022 0.78 BRD4 (0.42) KMT2AALDH1A1NPSR1TSHRPOLB
SCHEMBL7815258 0.78 BRD4 (0.42) KMT2AALDH1A1NPSR1TSHRPOLB
SCHEMBL8709633 0.77 KMT2A (0.58) KMT2AGSTO1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8709628 0.75 KMT2A (0.57) KMT2AGSTO1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL7812727 0.75 CA1 (0.34) ALDH1A1SMN1; SMN2NPSR1TSHRPOLB
SCHEMBL11186403 0.74 KMT2A (0.56) KMT2AGSTO1ALDH1A1NPSR1MEN1

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