SCHEMBL7435504

SCHEMBL7435504

CS(=O)(=O)Nc1ccc(CCN2CCOc3ccc(NS(C)(=O)=O)cc3OCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL7436782 0.88 RAB9A (0.54) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL7437545 0.86 PKM (0.54) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL9843234 0.86 NOS2 (0.48) KCNH2
SCHEMBL7435345 0.85 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL7429770 0.84 NOS2 (0.44) RAB9ANPC1SMN1; SMN2NPSR1DRD2
SCHEMBL7435646 0.84 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL7440700 0.81 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL7435039 0.80 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2NPSR1PKM
SCHEMBL7437625 0.79 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL7441789 0.79 CYP19A1 (0.51) RAB9ANPC1SMN1; SMN2NPSR1PKM

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-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP claimed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US claimed
EP-0417671-A2 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1991-03-20 EP disclosed
US-4966967-A 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents BERLEX LABORATORIES, INC. (US) 1990-10-30 US disclosed