SCHEMBL21473052

SCHEMBL21473052

Cc1ncc(-c2cc3ccccc3o2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
ADRA2A P08913 2/20 0.51
MAOA P21397 3/20 0.50
ALOX5 P09917 1/20 0.50
METAP2 P50579 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47
NPY1R P25929 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM4 Q14833 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 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
SCHEMBL21462312 0.84 MAOB (0.54) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL21472147 0.83 MAOB (0.54) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL14934120 0.80 MKNK1 (0.47) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL19180722 0.79 MAOB (0.56) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL4661027 0.78 MAOB (0.56) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL7826723 0.77 MAOB (0.54) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL7125605 0.77 MAOB (0.68) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL21462499 0.77 MAOB (0.54) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL3687210 0.77 MAOB (0.54) MAOBADRA2AMAOAALOX5METAP2
SCHEMBL11673327 0.77 MAOB (0.58) MAOBADRA2AMAOAALOX5NPC1

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
WO-2019197502-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-10-17 WO disclosed