SCHEMBL6199558

SCHEMBL6199558

COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.61
▸ CYP1B1 Q16678 6/20 0.61
▸ MAPT P10636 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ MMP12 P39900 1/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ CYP1A2 P05177 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2E1 P05181 1/20 0.57
▸ CYP2C8 P10632 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP4B1 P13584 1/20 0.57
▸ CYP2B6 P20813 1/20 0.57
▸ CYP3A5 P20815 1/20 0.57

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 0.85 MAPT (0.64) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL12298266 0.83 TUBB4A (0.64) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL7501066 0.81 MAPT (0.59) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL6200789 0.80 MAPT (0.57) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL7705050 0.80 MAPT (0.57) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL16137725 0.79 POLB (0.66) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL6200730 0.78 MAPT (0.55) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL7501082 0.78 MAPT (0.63) MAPTNPC1RAB9AMMP12SMN1; SMN2
SCHEMBL23743195 0.78 CYP1A1 (1.00) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL8525270 0.77 SMN1; SMN2 (0.70) MAPTNPC1RAB9AMMP12SMN1; SMN2

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
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