SCHEMBL13428264

SCHEMBL13428264

Nc1ccc(Oc2ccc(OCc3cccnc3)cc2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 3/20 0.48
CYP19A1 P11511 2/20 0.48
MAPK1 P28482 2/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
IKBKB O14920 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
KDM1A O60341 1/20 0.41
MMP13 P45452 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 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
SCHEMBL13428030 0.86 CYP19A1 (0.58) CYP11B1CYP11B2CYP19A1GAAMAPT
SCHEMBL30354931 0.83 MAOB (0.62) CYP11B1CYP11B2CYP19A1MAPK1MAOB
SCHEMBL3761776 0.83 MAOB (0.62) CYP11B1CYP11B2CYP19A1MAPK1MAOB
SCHEMBL28048524 0.78 MAPK1 (0.64) CYP11B1CYP11B2CYP19A1MAPK1MAOA
SCHEMBL3998456 0.76 MAOB (0.66) CYP11B1CYP11B2CYP19A1MAPK1MAOB
SCHEMBL4317422 0.76 F9 (0.55) CYP11B1CYP11B2CYP19A1MAPK1MAOA
SCHEMBL17323482 0.76 HTR1A (0.54) CYP11B1CYP11B2CYP19A1IKBKBHTR1A
SCHEMBL30354972 0.76 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1RAB9ASMN1; SMN2
SCHEMBL4422123 0.76 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1MAPTRAB9A
SCHEMBL30354786 0.75 LMNA (0.59) CYP11B1CYP11B2CYP19A1GAAMAPT

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-2010035719-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2010-04-01 WO disclosed