SCHEMBL13625637

SCHEMBL13625637

O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(CO)cc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.61
PRKCD Q05655 1/20 0.61
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.54
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
TSHR P16473 1/20 0.50

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
SCHEMBL4625337 0.80 RXFP1 (0.56) MAPTLMNAKMT2AMEN1PKM
SCHEMBL7203836 0.80 RAB9A (0.60) MAPTLMNAKMT2AMEN1PKM
SCHEMBL2825416 0.80 MAPT (0.69) MAPTLMNAKMT2AMEN1PKM
SCHEMBL5335470 0.79 KMT2A (0.60) MAPTLMNAKMT2APKMALDH1A1
SCHEMBL11632216 0.79 RAB9A (0.62) MAPTLMNAKMT2AMEN1PKM
SCHEMBL13625640 0.78 PRKCA (0.64) PRKCAPRKCDMAPTPKMRXFP1
SCHEMBL4314829 0.78 KMT2A (0.68) PRKCAPRKCDMAPTLMNAKMT2A
SCHEMBL6762850 0.78 LMNA (0.57) MAPTLMNAKMT2AMEN1PKM
SCHEMBL17769827 0.78 MAPT (0.64) MAPTLMNAKMT2AMEN1PKM
SCHEMBL13625843 0.78 PRKCA (0.67) PRKCAPRKCDMAPTKMT2AKDM4E

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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed