SCHEMBL7435646

SCHEMBL7435646

CCN1CCOc2ccc(NS(C)(=O)=O)cc2OCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.52
HTT P42858 3/20 0.52
POLB P06746 3/20 0.49
LMNA P02545 5/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL7440700 0.97 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7437545 0.90 PKM (0.54) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7436782 0.86 RAB9A (0.54) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7435039 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL17109067 0.84 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7435504 0.84 RAB9A (0.51) SMN1; SMN2RAB9ANPSR1NPC1POLB
SCHEMBL7441789 0.79 CYP19A1 (0.51) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7433425 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL12017944 0.78 MAPT (0.71) SMN1; SMN2RAB9ANPSR1NPC1MAPT
SCHEMBL7436206 0.77 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPSR1NPC1MAPT

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
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