SCHEMBL6200727

SCHEMBL6200727

COc1cc[c]cc1N(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.41
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
FSCN1 Q16658 1/20 0.37
SLC9A1 P19634 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PAX8 Q06710 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL6584974 0.78 APP (0.40) CA12CA1CA2CA7CA9
SCHEMBL6315253 0.76 ALDH1A1 (0.37) POLBALDH1A1SMN1; SMN2CA12CA1
SCHEMBL2536563 0.75 TSPO (0.67) TSPOPOLBALDH1A1PAX8TLR9
SCHEMBL2035446 0.74 FSCN1 (0.40) TSPOFSCN1NPC1ALDH1A1KMT2A
SCHEMBL8317114 0.72 HTT (0.44) ALDH1A1HTTKMT2ACYP3A4SMN1; SMN2
SCHEMBL28678688 0.71 ALDH1A1 (0.53) TSPOFSCN1POLBNPC1AHR
SCHEMBL2552993 0.71 MAPT (0.37) ALDH1A1HTTMEN1KMT2ACYP3A4
SCHEMBL3197508 0.70 TSHR (0.49) NPC1ALDH1A1SMN1; SMN2RAB9ABLM
SCHEMBL1205065 0.70 TNFSF11 (0.46) NPC1ALDH1A1CYP3A4SMN1; SMN2RAB9A
SCHEMBL15389999 0.70 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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