SCHEMBL23906288

SCHEMBL23906288

CCC1CC(=O)c2ccc(OCc3ccncc3)cc2O1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
CREBBP Q92793 1/20 0.53
MAOB P27338 14/20 0.49
MAOA P21397 1/20 0.49
GRM5 P41594 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP19A1 P11511 2/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL23882766 0.88 MAOB (0.46) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23906152 0.88 MAOB (0.46) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL32675570 0.88 MAOB (0.46) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23906322 0.88 MAOB (0.46) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL30251088 0.88 MAOB (0.46) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23905817 0.86 BRD4 (0.67) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23906006 0.82 CYP19A1 (0.43) MAOBCYP19A1
SCHEMBL23905963 0.82 CYP19A1 (0.43) MAOBCYP19A1
SCHEMBL32675590 0.82 CYP19A1 (0.43) MAOBCYP19A1
SCHEMBL23882769 0.82 CYP19A1 (0.43) MAOBCYP19A1

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