SCHEMBL23906278

SCHEMBL23906278

CC1COc2cc(OCc3ccncc3)ccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
STAT3 P40763 1/20 0.49
MAOB P27338 13/20 0.49
MAOA P21397 2/20 0.49
GRM5 P41594 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CYP19A1 P11511 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL23882660 0.86 MAOB (0.50) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL32675586 0.86 MAOB (0.50) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23905914 0.83 MAOB (0.47) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23905844 0.82 CYP19A1 (0.63) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23905149 0.78 MAOB (0.77) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23906296 0.77 BRD4 (0.53) BRD4CREBBPMAOBMAOAGRM5
SCHEMBL23905817 0.77 BRD4 (0.67) BRD4CREBBPSTAT3MAOBMAOA
SCHEMBL1500093 0.76 CYP19A1 (0.63) MAOBSMN1; SMN2ALDH1A1HPGDKCNH2
SCHEMBL30411495 0.73 CYP3A4 (0.36) SMN1; SMN2ALDH1A1HPGDKCNH2TRPV1
SCHEMBL30412400 0.73 CYP3A4 (0.36) SMN1; SMN2ALDH1A1HPGDKCNH2TRPV1

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