SCHEMBL7919243

SCHEMBL7919243

O=C(O)COc1ccc(SCCNS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
IDO1 P14902 1/20 0.59
TBXA2R P21731 1/20 0.54
TBXAS1 P24557 1/20 0.54
SGMS1 Q86VZ5 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
GAA P10253 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP13 P45452 1/20 0.49
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48

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
SCHEMBL7921068 0.89 TBXA2R (0.67) ALDH1A1TBXA2RTBXAS1SGMS1MEN1
SCHEMBL7918861 0.89 ALDH1A1 (0.63) ALDH1A1SGMS1MEN1KMT2APKM
SCHEMBL7920702 0.88 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1SGMS1MEN1
SCHEMBL7918922 0.88 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1SGMS1MEN1
SCHEMBL7919267 0.88 ALDH1A1 (0.65) ALDH1A1IDO1TBXA2RTBXAS1SGMS1
SCHEMBL7918986 0.88 ALDH1A1 (0.62) ALDH1A1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL7918909 0.85 ALDH1A1 (0.56) ALDH1A1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL7918668 0.84 ALDH1A1 (0.54) ALDH1A1IDO1MEN1KMT2APKM
SCHEMBL7924104 0.83 ALDH1A1 (0.58) ALDH1A1TBXA2RTBXAS1GAACYP2C9
SCHEMBL7919257 0.82 ALDH1A1 (0.69) ALDH1A1IDO1TBXA2RTBXAS1SGMS1

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 5 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
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