SCHEMBL6199744

SCHEMBL6199744

COc1ccc(-c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 9/20 0.55
C1S P09871 1/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
RECQL P46063 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
SCHEMBL6198580 0.86 MAPT (0.52) EIF4EC1SALDH1A1MAPTKMT2A
SCHEMBL6199409 0.85 ALDH1A1 (0.57) EIF4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6198667 0.82 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL6201626 0.81 KMT2A (0.59) EIF4EALDH1A1MAPTKMT2AMEN1
SCHEMBL27680063 0.81 MAPT (0.51) EIF4EC1SALDH1A1MAPTKMT2A
SCHEMBL6198481 0.81 KMO (0.64) EIF4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4279626 0.78 ALOX5 (0.64) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL6355125 0.77 C1S (0.53) EIF4EC1SALDH1A1MAPTKMT2A
SCHEMBL2999988 0.76 SMN1; SMN2 (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL8357836 0.76 MAPT (0.59) EIF4EC1SALDH1A1MAPTKMT2A

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