SCHEMBL9389151

SCHEMBL9389151

CC(=O)OCc1nc2cc(C)c(CBr)cc2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
PDE5A O76074 1/20 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
SCHEMBL9386679 0.89 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1MAPTRXFP1
SCHEMBL6584578 0.87 KDM4E (0.42) KDM4EHSD17B10ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL5734972 0.82 KDM4E (0.46) KDM4EHSD17B10ALDH1A1MAPTRXFP1
SCHEMBL6582992 0.81 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1MAPTMAPK1
SCHEMBL9555823 0.79 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1MAPTTDP1
SCHEMBL9556162 0.79 KDM4E (0.51) KDM4EHSD17B10ALDH1A1MAPTMAPK1
SCHEMBL6580601 0.77 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1MAPTRXFP1
SCHEMBL9216843 0.76 KDM4E (0.55) KDM4EHSD17B10ALDH1A1MAPTUSP2
SCHEMBL23882575 0.74 KDM4E (0.58) KDM4EHSD17B10ALDH1A1RXFP1USP2
SCHEMBL2180069 0.74 RAB9A (0.63) KDM4EALDH1A1MAPTTDP1MEN1

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-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO disclosed