SCHEMBL6200721

SCHEMBL6200721

COc1ccc(C(=O)c2nc(-c3ccc4[nH]c(=O)c(O)c(O)c4c3)cs2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ TP53 P04637 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ PTK2B Q14289 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL6194678 0.83 MEN1 (0.53) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL7496563 0.79 MEN1 (0.39) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL6200171 0.74 MAPT (0.57) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL6687492 0.72 MEN1 (0.62) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL14742925 0.72 KMT2A (0.62) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL10649690 0.70 MEN1 (0.50) KMT2AMEN1ALDH1A1ALOX15KDM4E
SCHEMBL6194262 0.68 ALDH1A1 (0.55) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL10647725 0.67 MEN1 (0.62) KMT2AMEN1MAPK1ALDH1A1KDM4E
SCHEMBL7435829 0.67 GAA (0.65) KMT2AMEN1MAPK1ALDH1A1ALOX15
SCHEMBL9403786 0.66 PDE3B (0.58) MAPK1ALDH1A1KDM4ETSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 — — EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 — — EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 — — US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 — — EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 — — US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 — — EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 — — US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 — — US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 — — EP disclosed
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