SCHEMBL6201300

SCHEMBL6201300

COc1ccc(-c2ncc(-c3ccc4c(c3)CCC(=O)N4)s2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.51
▸ CYP11B2 P19099 4/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ AKT1 P31749 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PDE3B Q13370 4/20 0.44
▸ PDE3A Q14432 4/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ MAP3K8 P41279 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE4B Q07343 2/20 0.43

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
SCHEMBL12497001 0.80 HSD17B1 (0.49) CYP1A2CYP2C9PDE4AALDH1A1CYP2C19
SCHEMBL6196901 0.79 MAPT (0.64) CYP11B1CYP11B2CYP1A2MAPTNPC1
SCHEMBL12937504 0.73 HSD17B1 (0.49) CYP1A2MAPTCYP2C9SLC6A4PDE4A
SCHEMBL6200730 0.73 MAPT (0.55) CYP11B1CYP11B2CYP1A2MAPTNPC1
SCHEMBL6200142 0.72 MAPT (0.49) CYP11B1CYP11B2CYP1A2MAPTNPC1
SCHEMBL16090311 0.71 CYP1A2 (0.54) CYP11B1CYP11B2CYP1A2AKT1NPC1
SCHEMBL16090324 0.71 CYP1A2 (0.54) CYP11B1CYP11B2CYP1A2AKT1PDE3B
SCHEMBL6198593 0.70 MAPT (0.52) CYP1A2MAPTNPC1MMP12RAB9A
SCHEMBL8887539 0.69 ALDH1A1 (0.58) CYP11B1CYP11B2MAPTNPC1MMP12
SCHEMBL7501066 0.69 MAPT (0.59) CYP11B1CYP11B2CYP1A2MAPTNPC1

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 10 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-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 — — EP 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
Send feedback