SCHEMBL30601503

SCHEMBL30601503

O=C1CCOc2nc(Cl)ccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.52
MAOB P27338 8/20 0.41
MAOA P21397 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31

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
SCHEMBL22439215 1.00 GRM5 (0.52) GRM5MAOBMAOAPRMT5WDR77
SCHEMBL30922238 0.81 PSMB5 (0.38) GRM5PRMT5WDR77TDP2NSD2
SCHEMBL14661366 0.81 PSMB5 (0.38) GRM5PRMT5WDR77TDP2NSD2
SCHEMBL19153123 0.79 GRM5 (0.55) GRM5MAOBMAOANPC1ALDH1A1
SCHEMBL23160480 0.75 FABP6 (0.42) GRM5PRMT5WDR77
SCHEMBL18237776 0.75 GRM5 (0.49) GRM5MAOBMAOANPC1ALDH1A1
SCHEMBL30492966 0.73 OGA (0.34) PRMT5WDR77ALDH1A1
SCHEMBL23066271 0.73 OGA (0.34) PRMT5WDR77ALDH1A1
SCHEMBL30492969 0.73 OGA (0.34) PRMT5WDR77ALDH1A1
SCHEMBL2073931 0.72 PRMT5 (0.46) GRM5PRMT5WDR77

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
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed