Sugi Predict

Sugi Predict / Compounds / SCHEMBL17848196

SCHEMBL17848196

SCHEMBL17848196

CN(C)C=CC(=O)c1cc(OCc2ccnc(Cl)c2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYSLTR2 Q9NS75 2/20 0.41
▸ CYSLTR1 Q9Y271 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17848194 1.00 MAOA (0.42) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL17864853 0.87 MAOA (0.42) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL17848312 0.85 RAB9A (0.48) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL17848314 0.85 RAB9A (0.48) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL17848436 0.82 MAOB (0.61) MAOAMAOBMAPTHTT
SCHEMBL17848424 0.79 MAOB (0.44) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL17848427 0.79 MAOB (0.44) MAOAMAOBMAPTRAB9ACYSLTR2
SCHEMBL29076154 0.74 MAPT (0.60) MAOAMAOBMAPTGAALMNA
SCHEMBL28749229 0.74 MAPT (0.60) MAOAMAOBMAPTGAALMNA
SCHEMBL7214550 0.71 RECQL (0.46) MAPTRAB9AGAAHTTLMNA

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-2016097345-A1 LABELLED CHROMONE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-23 — — WO disclosed