SCHEMBL9616708

SCHEMBL9616708

NS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
PFKFB3 Q16875 1/20 0.57
CA2 P00918 8/20 0.57
CA1 P00915 7/20 0.57
CA9 Q16790 2/20 0.57
TSHR P16473 1/20 0.53
PGR P06401 1/20 0.53
HCRTR1 O43613 1/20 0.52
MAPT P10636 1/20 0.52
BRD4 O60885 1/20 0.52
RORC P51449 1/20 0.52
GHSR Q92847 1/20 0.51

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
SCHEMBL812673 0.81 TSHR (0.74) MEN1KMT2AALDH1A1HTTPFKFB3
SCHEMBL31110643 0.81 TSHR (0.74) MEN1KMT2AALDH1A1HTTPFKFB3
SCHEMBL9616615 0.80 MEN1 (0.61) MEN1KMT2ACA2CA1CA9
SCHEMBL2308296 0.80 CA2 (0.79) MEN1KMT2AALDH1A1CA2CA1
SCHEMBL9616665 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HTTPFKFB3
SCHEMBL9616624 0.79 ALDH1A1 (0.56) ALDH1A1HTTPFKFB3TSHRPGR
SCHEMBL259694 0.79 MAPT (0.60) MEN1KMT2AALDH1A1HTTPFKFB3
SCHEMBL3259317 0.79 ALDH1A1 (0.64) ALDH1A1HTTPFKFB3TSHRPGR
SCHEMBL9480187 0.78 ALDH1A1 (0.62) ALDH1A1HTTPFKFB3TSHRPGR
SCHEMBL5046687 0.77 TSHR (0.64) MEN1KMT2AALDH1A1HTTPFKFB3

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