SCHEMBL3425877

SCHEMBL3425877

COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)c2cccc(F)c2)cc1.O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)N1CCCC1c1ccc(F)cc1

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 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.46
OXTR P30559 3/20 0.44
AVPR1A P37288 3/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 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
SCHEMBL1630074 0.94 MAPT (0.49) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL1629094 0.94 CRHBP (0.52) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL3427036 0.93 MAPT (0.52) MAPTNPSR1LMNAALDH1A1MAPK1
SCHEMBL3428093 0.92 CRHBP (0.49) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL1630672 0.92 ALDH1A1 (0.48) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL1632105 0.91 CRHBP (0.56) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL1630065 0.90 KMT2A (0.52) MAPTNPSR1LMNAALDH1A1MAPK1
SCHEMBL1630069 0.90 KMT2A (0.54) CRHBPCRHR2MAPTNPSR1LMNA
SCHEMBL3423315 0.90 KEAP1 (0.51) MAPTNPSR1LMNAALDH1A1MAPK1
SCHEMBL1630032 0.90 KEAP1 (0.51) MAPTNPSR1LMNAALDH1A1MAPK1

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