SCHEMBL6197827

SCHEMBL6197827

COc1ccc(-c2nc(-c3ccc4c(c3)n(C)c(=O)n4C)cs2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 4/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 4/20 0.54
NPC1 O15118 3/20 0.54
HTT P42858 1/20 0.54
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
HPGD P15428 1/20 0.48
PLAU P00749 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6198667 0.83 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6197571 0.83 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6198603 0.82 MAPT (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6200129 0.78 CDC25A (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6194262 0.78 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6200127 0.76 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6197622 0.76 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6196185 0.75 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4279626 0.75 ALOX5 (0.64) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6198574 0.75 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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