SCHEMBL6197890

SCHEMBL6197890

CCOC(=O)c1ccnc(C(=O)CBr)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.39
NUDT1 P36639 1/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRP O00591 2/20 0.39

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
SCHEMBL489624 0.86 CYP1A2 (0.61) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL27888086 0.83 CYP1A2 (0.57) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL8883554 0.78 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL1301427 0.77 CYP1A2 (0.77) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL164477 0.76 CYP1A2 (0.61) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL17820081 0.76 ALOX15 (0.44) MAPTALDH1A1NPC1RAB9ANPSR1
Bromide SCHEMBL9298199 0.75 JMJD6 (0.44) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL2684912 0.75 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL12228832 0.75 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD
SCHEMBL28073188 0.75 CYP1A2 (0.59) CYP1A2MAPTALDH1A1KDM4EHPGD

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 11 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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed