SCHEMBL6942963

SCHEMBL6942963

O=S(=O)(c1ccc(Cl)c(CBr)c1Cl)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
ALDH1A1 P00352 5/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL6945181 0.87 KMT2A (0.56) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL7818803 0.84 TSHR (0.46) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL6938724 0.83 CCR1 (0.43) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL6941044 0.81 BRD4 (0.42) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL6943022 0.81 BRD4 (0.42) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL7815258 0.81 BRD4 (0.42) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL7649083 0.78 ALDH1A1 (0.54) TSHRALDH1A1HTTKDM4EPOLB
SCHEMBL7812727 0.78 CA1 (0.34) TSHRALDH1A1LMNAHTTMAPK1
SCHEMBL6939720 0.76 MMP8 (0.53) TSHRALDH1A1HTTKDM4EPOLB
SCHEMBL6945959 0.76 RORC (0.51) RORC

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