SCHEMBL17848312

SCHEMBL17848312

CN(C)/C=C/C(=O)c1cc(OCc2ccc(Cl)nc2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
TERT O14746 7/20 0.42
MAPT P10636 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL17848314 1.00 RAB9A (0.48) RAB9AALDH1A1NPC1MAOAMAOB
SCHEMBL17848427 0.87 MAOB (0.44) RAB9AALDH1A1MAOAMAOBMAPT
SCHEMBL17848424 0.87 MAOB (0.44) RAB9AALDH1A1MAOAMAOBMAPT
SCHEMBL17848194 0.85 MAOA (0.42) RAB9AMAOAMAOBMAPTCYSLTR2
SCHEMBL17848196 0.85 MAOA (0.42) RAB9AMAOAMAOBMAPTCYSLTR2
SCHEMBL17848320 0.82 MAOB (0.64) RAB9AALDH1A1NPC1MAOAMAOB
SCHEMBL17864853 0.79 MAOA (0.42) RAB9AALDH1A1MAOAMAOBMAPT
SCHEMBL29076154 0.74 MAPT (0.60) ALDH1A1NPC1MAOAMAOBMAPT
SCHEMBL28749229 0.74 MAPT (0.60) ALDH1A1NPC1MAOAMAOBMAPT
SCHEMBL31253971 0.71 ALDH1A1 (0.42) ALDH1A1MAOBMAPTMEN1KMT2A

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