SCHEMBL22293284

SCHEMBL22293284

NC(=S)N[C@H]1CC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM1A O60341 13/20 0.54
CNR1 P21554 1/20 0.48
MAOA P21397 5/20 0.47
MAOB P27338 3/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
EPHX2 P34913 1/20 0.47
TLR2 O60603 2/20 0.46
TLR1 Q15399 2/20 0.46

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
SCHEMBL18974768 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL10310201 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL13998899 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL5531089 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL20696269 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL31018747 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL8294081 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1ACNR1MAOA
SCHEMBL11486071 0.81 SSTR4 (0.49) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL11486073 0.81 SSTR4 (0.49) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL11492971 0.80 SSTR4 (0.51) SMN1; SMN2NPSR1KDM1AMAOAMAOB

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
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed