SCHEMBL14640359

SCHEMBL14640359

NC(C=O)Cc1ccc(O)c(N=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
HSD17B10 Q99714 7/20 0.41
ALOX15 P16050 5/20 0.41
USP2 O75604 5/20 0.41
RECQL P46063 5/20 0.41
TDP1 Q9NUW8 5/20 0.41
HIF1A Q16665 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
HTR2A P28223 2/20 0.41
PTGS2 P35354 2/20 0.41
SLC7A5 Q01650 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
EGFR P00533 2/20 0.41
PTGS1 P23219 1/20 0.41
PLA2G1B P04054 1/20 0.36
MAPT P10636 6/20 0.35
ALOX12 P18054 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35

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
SCHEMBL18901964 0.88 ALOX15 (0.41) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL11136076 0.82 ALOX15 (0.59) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL10062117 0.82 ALOX15 (0.59) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL849961 0.82 ALOX15 (0.59) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL13612126 0.81 TAAR1 (0.50) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL11981918 0.79 ALDH1A1 (0.45) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL12532003 0.78 SLC7A5 (0.69) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL10135632 0.78 SLC7A5 (0.69) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL523988 0.78 THRB (0.44) KDM4EHSD17B10ALOX15USP2RECQL
SCHEMBL17771942 0.78 CA2 (0.49) KDM4EHSD17B10ALOX15USP2RECQL

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-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed