SCHEMBL9616620

SCHEMBL9616620

CC(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 7/20 0.51
RAB9A P51151 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.49
HPGD P15428 4/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL9616673 0.86 WDR5 (0.53) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL9616695 0.84 HSP90AA1 (0.47) ALDH1A1GAALMNAMAPTATM
SCHEMBL9616674 0.84 HSP90AA1 (0.49) ALDH1A1GAAMAPTATMTSHR
SCHEMBL9616544 0.78 WDR5 (0.67) MAPTRAB9ATSHRKMT2AMEN1
SCHEMBL9616610 0.77 WDR5 (0.53) TSHRKMT2AMEN1HDAC3HDAC4
SCHEMBL28261322 0.75 HDAC3 (0.70) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL8275407 0.73 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL9616784 0.73 HTR6 (0.54) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL9616559 0.72 MEN1 (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL13552895 0.72 HTR1A (0.53) ALDH1A1GAASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462179-A4 NOVEL SULFONAMIDES AS RADIOSENSITIZERS 1992-03-18 EP claimed
EP-0462179-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-27 EP claimed
WO-1990009787-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-09-07 WO claimed
EP-0462179-A4 NOVEL SULFONAMIDES AS RADIOSENSITIZERS 1992-03-18 EP disclosed
EP-0462179-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-27 EP disclosed
WO-1990009787-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-09-07 WO disclosed