SCHEMBL7918668

SCHEMBL7918668

O=C(O)COc1ccc(SCCNS(=O)(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 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
SCHEMBL7924091 0.92 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7920840 0.90 ALDH1A1 (0.66) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7923992 0.90 TSHR (0.51) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7911832 0.90 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7924026 0.90 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7919257 0.88 ALDH1A1 (0.69) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7920700 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7918971 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7919263 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL7919243 0.84 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9

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-0811375-B1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA LTD (JP) 2001-01-03 EP disclosed
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed
EP-0811375-A1 GLUTAMIC ACID RECEPTOR AGONIST NIPPON SUISAN KAISHA, LTD. (JP) 1997-12-10 EP disclosed
EP-0469901-B1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-10-19 EP disclosed
US-5189211-A Thromboxane A2 antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 1993-02-23 US disclosed
EP-0469901-A1 Sulfonamide derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1992-02-05 EP disclosed