SCHEMBL23905966

SCHEMBL23905966

Cc1c(OCc2ccncc2)c(F)cc2c1OCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.42
GRM5 P41594 6/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL23905184 0.89 MAOB (0.44) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905994 0.85 MAOB (0.38) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905954 0.85 MAOB (0.43) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23906118 0.85 MAOB (0.43) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905186 0.80 MAOB (0.55) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905188 0.79 GRM5 (0.57) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905175 0.79 MRGPRX4 (0.47) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23882791 0.75 CYP19A1 (0.36) MAOBGRM5ALDH1A1SMN1; SMN2
SCHEMBL23906135 0.75 CYP19A1 (0.36) MAOBGRM5ALDH1A1SMN1; SMN2
SCHEMBL30251309 0.75 CYP19A1 (0.36) MAOBGRM5ALDH1A1SMN1; SMN2

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-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed