SCHEMBL17864853

SCHEMBL17864853

CN(C)/C=C/C(=O)c1cc(OCc2ccnc(F)c2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
GAA P10253 3/20 0.40
BCHE P06276 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.87 MAOA (0.42) MAOAMAOBGAAMAPTHTT
SCHEMBL17848196 0.87 MAOA (0.42) MAOAMAOBGAAMAPTHTT
SCHEMBL17848427 0.85 MAOB (0.44) MAOAMAOBGAABCHEMAPT
SCHEMBL17848424 0.85 MAOB (0.44) MAOAMAOBGAABCHEMAPT
SCHEMBL17864854 0.82 MAOB (0.61) MAOAMAOBMAPTHTT
SCHEMBL17848312 0.79 RAB9A (0.48) MAOAMAOBMAPTCYSLTR2CYSLTR1
SCHEMBL17848314 0.79 RAB9A (0.48) MAOAMAOBMAPTCYSLTR2CYSLTR1
SCHEMBL28749229 0.74 MAPT (0.60) MAOAMAOBGAAMAPTLMNA
SCHEMBL29076154 0.74 MAPT (0.60) MAOAMAOBGAAMAPTLMNA
SCHEMBL765433 0.71 MAOB (0.61) MAOAMAOBCYSLTR2CYSLTR1

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