SCHEMBL1161533

SCHEMBL1161533

COc1ccc2c(=O)n(C)c(CI)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.55
PDE10A Q9Y233 5/20 0.51
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL1161641 0.89 ALPG (0.46) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1161537 0.86 CYP3A4 (0.55) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1161362 0.81 CYP3A4 (0.46) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1161394 0.80 CYP3A4 (0.51) CYP3A4PDE10AKDM4EALOX15TSHR
SCHEMBL1464928 0.80 CYP3A4 (0.56) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1463815 0.76 CYP3A4 (0.53) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1463889 0.76 CYP3A4 (0.53) CYP3A4PDE10AKCNH2HRH3KDM4E
SCHEMBL1463663 0.74 KCNH2 (0.59) CYP3A4KCNH2HRH3KDM4ESMN1; SMN2
SCHEMBL30739017 0.74 PDE10A (0.47) CYP3A4PDE10AKCNH2HRH3SMN1; SMN2
SCHEMBL1463084 0.73 KCNH2 (0.58) CYP3A4KCNH2HRH3RAB9AALDH1A1

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-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 WO disclosed