SCHEMBL8549209

SCHEMBL8549209

Cc1ccc(O)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.56
GAA P10253 9/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 4/20 0.50
TP53 P04637 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
HTT P42858 3/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6314811 0.84 GAA (0.51) GAANPC1TP53PDK1PDK2
SCHEMBL14515393 0.83 ALDH1A1 (0.52) GAASMN1; SMN2MAPTNPC1PDK1
SCHEMBL22167747 0.81 PDK1 (0.49) KCNMA1GAASMN1; SMN2MAPTNPC1
SCHEMBL22164080 0.81 PDK1 (0.49) GAASMN1; SMN2MAPTNPC1TP53
SCHEMBL25236842 0.81 PDK1 (0.49) KCNMA1SMN1; SMN2MAPTNPC1TP53
SCHEMBL17666342 0.81 MEN1 (0.61) GAASMN1; SMN2NPC1TP53PDK1
SCHEMBL7299719 0.81 MEN1 (0.49) KCNMA1MAPTTP53HTTMEN1
SCHEMBL8550609 0.80 GRIK1 (0.56) GAASMN1; SMN2TP53PDK1PDK2
SCHEMBL6397287 0.80 KCNMA1 (0.69) KCNMA1GAASMN1; SMN2MAPTNPC1
SCHEMBL24251938 0.79 MEN1 (0.47) SMN1; SMN2MAPTNPC1HTTMEN1

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-0614893-B1 Benzoxazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1998-05-27 EP disclosed
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 US disclosed
CN-1099032-A Benzoxazine derivatives, their preparation and their use in medicine SYNTHELABO (FR) 1995-02-22 CN disclosed
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed