SCHEMBL9260775

SCHEMBL9260775

Cc1cccn2cc(C(C)C)c(S(=O)(=O)c3ccc(O)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.34
ESR1 P03372 1/20 0.33
HTR6 P50406 2/20 0.33
ENPP2 Q13822 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9263101 0.85 RAPGEF4 (0.47) RAPGEF4SMN1; SMN2GAAMAPTTP53
SCHEMBL4174907 0.81 RAPGEF4 (0.39) RAPGEF4SMN1; SMN2GAAMAPTTP53
SCHEMBL9598092 0.70 RAPGEF4 (0.49) RAPGEF4GAAPKMESR1HTR6
SCHEMBL7266691 0.69 RAPGEF4 (0.38) RAPGEF4SMN1; SMN2GAAMAPTTP53
SCHEMBL9266453 0.68 GAA (0.40) RAPGEF4SMN1; SMN2GAAMAPTPKM
SCHEMBL7266582 0.65 HSD11B1 (0.62) RAPGEF4GAAPKMESR1ENPP2
SCHEMBL9599177 0.64 RAPGEF4 (0.41) RAPGEF4GAAPKMESR1ENPP2
SCHEMBL29227532 0.64 ALDH1A1 (0.56) RAPGEF4SMN1; SMN2GAAMAPTPKM
SCHEMBL11188982 0.63 RAPGEF4 (1.00) RAPGEF4GAAMAPTPKMENPP2
SCHEMBL9460121 0.63 HSD11B1 (0.59) RAPGEF4GAAPKMESR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444056-A Hypotensive agnets, calcium channel blockers SANOFI (FR) 1995-08-22 US disclosed