SCHEMBL7461573

SCHEMBL7461573

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
EPAS1 Q99814 1/20 0.41

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
SCHEMBL7468491 0.85 MAPT (0.46) TP53MAPTSMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL9036432 0.84 MAPT (0.51) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL260433 0.82 MAPT (0.52) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL27676968 0.80 TP53 (0.51) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL10436279 0.78 TP53 (0.50) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL24897837 0.77 TP53 (0.52) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL591887 0.77 MAPT (0.49) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL1572476 0.77 MAPT (0.52) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL7457552 0.76 MAPT (0.43) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL5515080 0.75 TP53 (0.48) TP53MAPTSMN1; SMN2POLBKDM4E

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