SCHEMBL6200225

SCHEMBL6200225

COc1ccc(-c2nc(-c3ccc(O)c(N)c3)cs2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
MEN1 O00255 8/20 0.65
KMT2A Q03164 8/20 0.65
MAPT P10636 6/20 0.65
GAA P10253 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
RAB9A P51151 4/20 0.65
POLB P06746 3/20 0.65
KDM4E B2RXH2 6/20 0.57
NPC1 O15118 3/20 0.57
HTT P42858 1/20 0.57
PLAU P00749 2/20 0.56
RECQL P46063 2/20 0.55
GFER P55789 2/20 0.55
HPGD P15428 3/20 0.51
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP1B1 Q16678 2/20 0.51
MAPK1 P28482 3/20 0.51
ALOX15 P16050 2/20 0.50

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
Hydrochloric Acid SCHEMBL6201169 0.99 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6200226 0.89 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL6196258 0.87 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6198667 0.87 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL6200988 0.83 PDE4A (0.55) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6198574 0.83 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6202609 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL6200175 0.82 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL6197627 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL29654017 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTGAA

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