SCHEMBL7460010

SCHEMBL7460010

C#CCNC(=O)COc1ccc(C)cc1-c1noc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8100615 0.91 PTGDR2 (0.33) MAPTRAB9ATP53HCRTR1HCRTR2
SCHEMBL7465900 0.88 PTGDR2 (0.39) MAPT
SCHEMBL7460017 0.87 ALDH1A1 (0.32) MAPTSMN1; SMN2POLB
SCHEMBL7467969 0.83 PPARG (0.36)
SCHEMBL7462485 0.82 MAPT (0.35) MAPTPOLB
SCHEMBL7462585 0.82 PPARG (0.36)
SCHEMBL7458857 0.82 BRD9 (0.36) MAPT
SCHEMBL7461938 0.80 PPARG (0.36) SMN1; SMN2POLB
SCHEMBL7460197 0.80 PPARG (0.43)
SCHEMBL7458109 0.79 HSP90AA1 (0.39) MAPTRAB9ATP53

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