SCHEMBL366810

SCHEMBL366810

NC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
EGFR P00533 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
IDO1 P14902 1/20 0.43
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
G6PD P11413 1/20 0.41
PABPC1 P11940 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL365934 0.91 KDM4E (0.45) PTGS2EGFRIDO1FNTAFNTB
SCHEMBL367763 0.91 BAZ2B (0.45) PTGS2EGFRBAZ2BBAZ2AFNTA
SCHEMBL365258 0.90 KDM4E (0.42) PTGS2EGFRBAZ2BBAZ2AIDO1
SCHEMBL366875 0.87 EGFR (0.42) PTGS2EGFRBAZ2BBAZ2AIDO1
SCHEMBL366370 0.83 EGFR (0.43) PTGS2EGFRIDO1FNTAFNTB
SCHEMBL367204 0.83 RORC (0.43) PTGS2EGFRIDO1FNTAFNTB
SCHEMBL365911 0.83 CES1 (0.42) PTGS2EGFRIDO1FNTAFNTB
SCHEMBL367329 0.83 BAZ2B (0.47) EGFRBAZ2BBAZ2AKDM4EALDH1A1
SCHEMBL366887 0.82 KDM4E (0.56) PTGS2EGFRBAZ2BBAZ2AIDO1
SCHEMBL371112 0.81 IDO1 (0.51) PTGS2EGFRIDO1FNTAFNTB

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