SCHEMBL20123465

SCHEMBL20123465

O=C1c2c(O)c(=O)ccn2CCN1CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
KDM6A O15550 1/20 0.33
KDM4A O75164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM5C P41229 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
DOHH Q9BU89 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 3/20 0.31
PABPC1 P11940 2/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10446735 0.84 HTT (0.39) ALDH1A1HTTAPPHRH3
SCHEMBL4316207 0.83 HDAC3 (0.43)
SCHEMBL10446100 0.81 PARP1 (0.36)
SCHEMBL4331050 0.80 COMT (0.43) KDM4EHTTSMN1; SMN2
SCHEMBL20014605 0.78 COMT (0.31) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4320121 0.76 ERCC1 (0.48) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL4315216 0.76 CYP2D6 (0.47) KDM4ECYP2C9CYP2C19KMT2AMEN1
SCHEMBL12997887 0.75 KDM4E (0.42) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4153042 0.75 RAB9A (0.46) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL4330995 0.73 ERCC1 (0.42) KDM4ECYP2C9CYP2C19ALDH1A1HTT

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
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed