SCHEMBL7776206

SCHEMBL7776206

COc1ccc(S(N)(=O)=O)cc1.[NaH]

nearest known ligand 0.95

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.75
PTGS1 P23219 3/20 0.66
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
PKM P14618 1/20 0.64
CA2 P00918 10/20 0.62
CA9 Q16790 10/20 0.62
CA1 P00915 9/20 0.62
CA12 O43570 8/20 0.62
CA7 P43166 3/20 0.62
CA4 P22748 2/20 0.62
CA14 Q9ULX7 1/20 0.60
SOS1 Q07889 1/20 0.55

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
SCHEMBL113508 0.98 PTGS2 (0.78) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL9492457 0.95 PTGS2 (0.75) PTGS2PTGS1ALDH1A1HTTPKM
Iodide SCHEMBL28542044 0.95 PTGS2 (0.75) PTGS2PTGS1ALDH1A1HTTPKM
Hydrochloric Acid SCHEMBL29969073 0.95 PTGS2 (0.75) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL16540410 0.91 ALDH1A1 (0.79) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL6849995 0.91 PTGS2 (0.72) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL28388013 0.90 PTGS2 (0.68) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL8395847 0.90 PTGS2 (0.68) PTGS2PTGS1ALDH1A1HTTPKM
Benzenesulfonamide SCHEMBL8827160 0.90 PTGS2 (0.68) PTGS2PTGS1ALDH1A1HTTPKM
SCHEMBL28747203 0.86 CA1 (0.67) PTGS2PTGS1ALDH1A1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832757-B1 REVERSIBLE THERMAL RECORDING MEDIUM OJI PAPER CO (JP) 2001-08-22 EP disclosed
US-5928988-A CONTAINING SULFONYLUREA COLOR DEVELOPER OJI PAPER CO., LTD. (JP) 1999-07-27 US disclosed
EP-0832757-A1 REVERSIBLE THERMAL RECORDING MEDIUM Oji Paper Co., Ltd. (JP) 1998-04-01 EP disclosed