Neodulin

Neodulin

SCHEMBL28407408

c1cc2cc3c(cc2o1)OCC1c2cc4c(cc2OC31)OCO4

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PTPN1 P18031 2/20 0.39
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MGAM O43451 1/20 0.30

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
Neodulin SCHEMBL29374942 1.00 MAOA (0.58) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL8820509 0.74 MAOA (0.55) MAOAMAOBCYP3A4TDP1MAPT
Maackiain SCHEMBL12810278 0.74 MAOA (1.00) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL8223903 0.74 MAOA (0.71) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL12810804 0.74 MAOA (0.71) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL12891393 0.74 MAOA (0.71) MAOAMAOBCYP3A4TDP1MAPT
Maackiain SCHEMBL29670858 0.74 MAOA (1.00) MAOAMAOBCYP3A4TDP1MAPT
Maackiain SCHEMBL28064249 0.74 MAOA (1.00) MAOAMAOBCYP3A4TDP1MAPT
SCHEMBL11576122 0.72 CYP3A4 (0.46) MAOACYP3A4TDP1MAPTMAPK1
Pterocarpin SCHEMBL1248055 0.71 MAPT (1.00) MAOAMAOBCYP3A4TDP1MAPT

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
CN-111278981-A Constructs for expressing G protein-coupled receptors or subunits thereof and uses thereof 日本烟草产业株式会社 2020-06-12 — — CN disclosed
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