SCHEMBL3428093

SCHEMBL3428093

COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)c2ccc(Cl)cc2)cc1.COc1cccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)c2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPT P10636 8/20 0.47
TP53 P04637 1/20 0.47
OXTR P30559 4/20 0.46
AVPR1A P37288 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1630630 0.97 CRHBP (0.47) CRHBPCRHR2MAPTTP53OXTR
SCHEMBL1629094 0.94 CRHBP (0.52) CRHBPCRHR2MAPTTP53OXTR
SCHEMBL3425877 0.92 CRHBP (0.49) CRHBPCRHR2MAPTTP53OXTR
SCHEMBL1632105 0.91 CRHBP (0.56) CRHBPCRHR2MAPTTP53OXTR
SCHEMBL1629052 0.90 HTT (0.49) CRHBPCRHR2MAPTTP53OXTR
SCHEMBL1630069 0.90 KMT2A (0.54) CRHBPCRHR2MAPTOXTRAVPR1A
SCHEMBL1630032 0.90 KEAP1 (0.51) MAPTOXTRAVPR1ANPSR1PKM
SCHEMBL1629490 0.90 KEAP1 (0.51) MAPTOXTRAVPR1ANPSR1PKM
SCHEMBL3423315 0.90 KEAP1 (0.51) MAPTOXTRAVPR1ANPSR1PKM
SCHEMBL1630672 0.89 ALDH1A1 (0.48) CRHBPCRHR2MAPTOXTRAVPR1A

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
EP-2245006-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed