SCHEMBL6200091

SCHEMBL6200091

CCCOc1cccc(-c2cnc(-c3cc[c]cc3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 2/20 0.40
CTSA P10619 1/20 0.39
NOTUM Q6P988 1/20 0.39
ERN1 O75460 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL6200087 0.82 KDM4E (0.48) KDM4ESMN1; SMN2MAPTNPC1RAB9A
SCHEMBL533192 0.80 KDM4E (0.50) KDM4ESMN1; SMN2MAPTCYP2C9KMT2A
SCHEMBL9140016 0.77 KDM4E (0.46) KDM4ESMN1; SMN2MAPTALDH1A1CYP2C9
SCHEMBL9958606 0.77 HSD17B1 (0.51) KDM4ESMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11516196 0.77 HSD17B1 (0.49) KDM4ESMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1181058 0.73 HSD17B1 (0.59) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL8876829 0.73 KDM4E (0.50) KDM4ESMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1180183 0.72 HSD17B1 (0.51) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL198917 0.72 KDM4E (0.59) KDM4ESMN1; SMN2MAPTCYP2C9KMT2A
SCHEMBL447992 0.70 HSD17B1 (0.42) KDM4ESMN1; SMN2MAPTNPC1RAB9A

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-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-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