SCHEMBL22197867

SCHEMBL22197867

NCCCCCCCCCCNC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.64
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
PLG P00747 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6276798 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL627424 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL1078114 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL6278204 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL627474 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL6272996 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL1332569 0.97
SCHEMBL3406422 0.90
SCHEMBL1309360 0.89 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AALDH1A1
SCHEMBL1837168 0.89 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AALDH1A1

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-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed