SCHEMBL23905914

SCHEMBL23905914

O=C1c2ccc(OCc3ccncc3)cc2OCC1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
MAOA P21397 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GRM5 P41594 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CYP3A4 P08684 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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 0.88 MAOB (0.50) MAOBMAOABRD4CREBBPHPGD
SCHEMBL32675586 0.88 MAOB (0.50) MAOBMAOABRD4CREBBPHPGD
SCHEMBL23882676 0.88 MAOB (0.62) MAOBMAOAHPGDALDH1A1SMN1; SMN2
SCHEMBL30251352 0.88 MAOB (0.62) MAOBMAOAHPGDALDH1A1SMN1; SMN2
SCHEMBL23906278 0.83 BRD4 (0.54) MAOBMAOABRD4CREBBPHPGD
SCHEMBL23905844 0.81 CYP19A1 (0.63) MAOBMAOABRD4CREBBPHPGD
SCHEMBL23905149 0.76 MAOB (0.77) MAOBMAOABRD4CREBBPHPGD
SCHEMBL23905915 0.74 CYP3A4 (0.38) HPGDALDH1A1SMN1; SMN2THRATHRB
SCHEMBL23906296 0.73 BRD4 (0.53) MAOBMAOABRD4CREBBPHPGD
SCHEMBL23882908 0.72 MAOB (0.54) MAOBMAOAHPGDALDH1A1SMN1; 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