SCHEMBL7461568

SCHEMBL7461568

O=C(O)/C=C/c1nsc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPAS1 Q99814 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7461572 1.00 HCAR2 (0.44) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL7468486 0.85 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL7468484 0.85 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL7457542 0.76 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL7457546 0.76 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL1122156 0.74 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10EPAS1
Hydrochloric Acid SCHEMBL27837732 0.73 MAPT (0.48) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL28833444 0.73 MAPT (0.48) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL27493296 0.73 KDM4E (0.48) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL27485228 0.73 MAPT (0.48) MAPTKDM4EALDH1A1HSD17B10EPAS1

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 4 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
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US 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