SCHEMBL7308430

SCHEMBL7308430

O=c1cc(CN2CCSCC2)oc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.71
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
PPARG P37231 1/20 0.50
ACHE P22303 1/20 0.49
PRKDC P78527 2/20 0.45
ACE P12821 1/20 0.45
ECE1 P42892 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2B P41595 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 4/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7305898 0.87 SIGMAR1 (0.77) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL17237763 0.86 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7298240 0.86 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299989 0.86 SIGMAR1 (0.75) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7299921 0.83 SIGMAR1 (1.00) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7294524 0.83 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL3605597 0.81 SIGMAR1 (0.76) SIGMAR1CYP11B1CYP11B2PPARGHTR1A
SCHEMBL7302267 0.79 SIGMAR1 (0.71) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7297159 0.79 SIGMAR1 (0.81) SIGMAR1CYP11B1CYP11B2PPARGACHE
SCHEMBL7300240 0.79 SIGMAR1 (0.69) SIGMAR1CYP11B1CYP11B2PPARGACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519023-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-05-21 US disclosed
EP-0580503-B1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR (FR) 1995-06-14 EP disclosed
EP-0580503-A1 Aminoalkylchromones, process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed