SCHEMBL7501082

SCHEMBL7501082

COc1c(C)csc1-c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ MMP12 P39900 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ POLB P06746 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ CRBN Q96SW2 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
SCHEMBL6196901 0.81 MAPT (0.64) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL7314031 0.78 MAPT (1.00) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6199558 0.78 CYP1A1 (0.61) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6651931 0.78 MAPT (0.65) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL8525270 0.77 SMN1; SMN2 (0.70) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL7501066 0.77 MAPT (0.59) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6197654 0.76 SMN1; SMN2 (0.64) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL7705050 0.76 MAPT (0.57) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6200789 0.76 MAPT (0.57) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6196524 0.74 MAPT (0.61) MAPTNPC1RAB9AMMP12ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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