SCHEMBL9616602

SCHEMBL9616602

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.58
PFKFB3 Q16875 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
FABP4 P15090 2/20 0.55
WDR5 P61964 1/20 0.55
FABP5 Q01469 1/20 0.55
RORC P51449 1/20 0.54
GAA P10253 1/20 0.54
BRD4 O60885 1/20 0.54
HCRTR1 O43613 1/20 0.53
MAPT P10636 1/20 0.53
HDAC1 Q13547 1/20 0.53
GHSR Q92847 1/20 0.52
PGR P06401 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
SCHEMBL8276260 0.85 TSHR (0.54) TSHRALDH1A1SMN1; SMN2HTTPFKFB3
SCHEMBL9616673 0.81 WDR5 (0.53) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6206726 0.80 TSHR (0.57) TSHRALDH1A1HTTPFKFB3FABP4
SCHEMBL6206728 0.80 TSHR (0.57) TSHRALDH1A1HTTPFKFB3FABP4
SCHEMBL6206539 0.80 TSHR (0.57) TSHRALDH1A1HTTPFKFB3FABP4
SCHEMBL259694 0.80 MAPT (0.60) TSHRALDH1A1HTTPFKFB3BRD4
SCHEMBL3259317 0.80 ALDH1A1 (0.64) TSHRALDH1A1HTTPFKFB3RORC
SCHEMBL28675136 0.80 TSHR (0.60) TSHRALDH1A1HTTPFKFB3FABP4
SCHEMBL13705540 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTFABP4WDR5
SCHEMBL13602254 0.80 PFKFB3 (0.63) TSHRALDH1A1HTTPFKFB3WDR5

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