SCHEMBL9780212

SCHEMBL9780212

O=S(=O)(F)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 0.49
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL9780344 0.85 CA1 (0.50) KIF11POLBEPHX2HTTMAPT
SCHEMBL9780309 0.83 KIF11 (0.50) KIF11POLBEPHX2HTTMAPT
SCHEMBL9780220 0.80 POLB (0.50) KIF11POLBEPHX2HTTMAPT
SCHEMBL4410568 0.79 GAA (0.66) MAPTKMT2AMEN1RAB9ACA12
Hydrochloric Acid SCHEMBL9735996 0.78 GAA (0.63) MAPTKMT2AMEN1RAB9ACA12
SCHEMBL9734702 0.77 CA1 (0.50) KIF11POLBEPHX2MAPTKMT2A
SCHEMBL23848234 0.77 KIF11 (0.50) KIF11POLBEPHX2HTTMAPT
SCHEMBL10341659 0.77 GLA (0.46) POLBMAPTKMT2AMEN1CA12
SCHEMBL1948706 0.75 MAPT (0.51) KIF11POLBEPHX2HTTMAPT
SCHEMBL13813682 0.75 MAPT (0.51) KIF11POLBEPHX2HTTMAPT

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