SCHEMBL367221

SCHEMBL367221

NC(=O)c1cc(O)c2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.42
BAZ2A Q9UIF9 3/20 0.42
PARP1 P09874 2/20 0.37
PTPN11 Q06124 1/20 0.35
PTGS2 P35354 1/20 0.35
LCK P06239 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRPF1 P55201 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAP2K3 P46734 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL365022 0.92 PTGS2 (0.39) BAZ2BBAZ2APTGS2HSD17B10KDM4E
SCHEMBL367255 0.92 PTGS2 (0.42) BAZ2BBAZ2APARP1PTGS2HSD17B10
SCHEMBL365770 0.91 BAZ2B (0.45) BAZ2BBAZ2AKDM4EBRD4ALDH1A1
SCHEMBL364537 0.87 BAZ2B (0.38) BAZ2BBAZ2AKDM4EALDH1A1MAPT
SCHEMBL367765 0.81 NPC1 (0.43) BAZ2BBAZ2APARP1KDM4EALDH1A1
SCHEMBL366820 0.81 IDO1 (0.43) BAZ2BBAZ2APTGS2HSD17B10KDM4E
SCHEMBL365406 0.80 STS (0.39) KDM4EALDH1A1MAPT
SCHEMBL365788 0.78 BAZ2B (0.45) BAZ2BBAZ2APTGS2KDM4EBRD4
SCHEMBL367763 0.78 BAZ2B (0.45) BAZ2BBAZ2APARP1PTGS2HSD17B10
SCHEMBL365255 0.76 RAB9A (0.37) BAZ2BBAZ2AKDM4EALDH1A1MAPT

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed