SCHEMBL7459121

SCHEMBL7459121

O=CCc1nsc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CMA1 P23946 1/20 0.41
EPAS1 Q99814 7/20 0.40
ACHE P22303 1/20 0.39
CYP2A6 P11509 1/20 0.35
MMP13 P45452 1/20 0.34
EPHX2 P34913 1/20 0.33
SORD Q00796 1/20 0.33

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
SCHEMBL28746081 0.81 KDM4E (0.46) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL28743259 0.79 MAPT (0.43) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL9933881 0.79 MAPT (0.50) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL1122156 0.75 MAPT (0.50) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL19141271 0.75 KDM4E (0.50) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL9670628 0.75 MAPT (0.50) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL38661082 0.75 KDM4E (0.55) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL8371416 0.75 MAPT (0.50) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL8906440 0.75 KDM4E (0.50) KDM4EMAPTALDH1A1HSD17B10CMA1
SCHEMBL11594753 0.74 MAPT (0.46) KDM4EMAPTALDH1A1HSD17B10CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed