SCHEMBL12751085

SCHEMBL12751085

COc1ccccc1NS(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
ALDH1A1 P00352 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CYP2C9 P11712 2/20 0.52
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.49
RORC P51449 1/20 0.49
THRA P10827 2/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL1472157 0.90 HPGD (0.52) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1471324 0.90 ALDH1A1 (0.58) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1472292 0.90 ALDH1A1 (0.57) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1471692 0.89 CRHBP (0.60) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1474129 0.88 ALDH1A1 (0.53) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1472397 0.87 CRHBP (0.50) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1471924 0.87 CRHBP (0.52) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1472302 0.87 CRHBP (0.54) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1471753 0.86 CRHBP (0.51) HPGDALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1472089 0.86 CYP2C9 (0.52) HPGDALDH1A1L3MBTL1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed