SCHEMBL6199712

SCHEMBL6199712

COc1ccc(-c2nc(-c3ccc4[nH]c(=O)ccc4c3)cs2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
HPGD P15428 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PLAU P00749 2/20 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
SCHEMBL6194262 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6200129 0.84 CDC25A (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6199559 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6198667 0.83 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6195888 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6198715 0.80 PPM1D (0.67) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6194678 0.78 MEN1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5461092 0.78 CDK5 (0.69) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6197904 0.78 PPM1D (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13680627 0.76 CA12 (0.51) MAPTMAPK1EGFRCDC25ACDC25B

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