SCHEMBL9780309

SCHEMBL9780309

CNS(=O)(=O)CCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
POLB P06746 1/20 0.49
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL9780220 0.85 POLB (0.50) KIF11POLBEPHX2L3MBTL1TP53
SCHEMBL9780212 0.83 KIF11 (0.50) KIF11POLBEPHX2TP53HTT
SCHEMBL9780344 0.81 CA1 (0.50) KIF11POLBEPHX2TP53HTT
SCHEMBL4824024 0.76 CA1 (0.40) MAPTCA12CA1CA2MAPK1
SCHEMBL6233494 0.75 POLB (0.58) KIF11POLBEPHX2L3MBTL1HTT
SCHEMBL24767382 0.74 KIF11 (0.64) KIF11POLBEPHX2L3MBTL1HTT
Hydrochloric Acid SCHEMBL29143640 0.74 ALDH1A1 (0.47) L3MBTL1MAPTCA12CA1CA2
SCHEMBL747450 0.73 POLB (0.59) KIF11POLBEPHX2L3MBTL1TP53
SCHEMBL23848234 0.73 KIF11 (0.50) KIF11POLBEPHX2L3MBTL1TP53
SCHEMBL1948706 0.72 MAPT (0.51) KIF11POLBEPHX2L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026717-A Glutamate inhibitors RHONE-POULENC SANTE (FR) 1991-06-25 US disclosed
US-4980356-A ANTICONVULSANTS; ANTISPASMODIC AGENTS; MUSCULAR AND NERVOUS SYSTEMS DISORDERS RHONE-POULENC SANTE (FR) 1990-12-25 US disclosed