SCHEMBL4599314

SCHEMBL4599314

CCCCCc1cc2c(cc1[N+](=O)[O-])C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B1 P14061 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VCAM1 P19320 2/20 0.34
ESR1 P03372 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
BAZ1A Q9NRL2 1/20 0.32
HCAR3 P49019 1/20 0.32
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
WRN Q14191 1/20 0.31

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
SCHEMBL2301656 0.76 HSD17B1 (0.37) TDP1HSD17B1MAPT
SCHEMBL2305004 0.76 TYR (0.46) ALDH1A1TDP1HSD17B1MAPTGAA
SCHEMBL4447289 0.74 ALDH1A1 (0.32) ALDH1A1TDP1MAPTL3MBTL1VCAM1
SCHEMBL4458486 0.74 HTR2A (0.48) ALDH1A1HSD17B1
SCHEMBL1025369 0.73 ALDH1A1 (0.40) ALDH1A1TDP1MAPTGAABAZ1A
SCHEMBL28968860 0.73 ALDH1A1 (0.55) ALDH1A1TDP1MAPTL3MBTL1VCAM1
SCHEMBL11063518 0.71 VCAM1 (0.44) ALDH1A1TDP1MAPTL3MBTL1VCAM1
SCHEMBL6204798 0.70 MAPK1 (0.42) ALDH1A1TDP1MAPTVCAM1BAZ1A
SCHEMBL11980460 0.70 BAZ1A (0.37) ALDH1A1HSD17B1MAPTLMNABAZ1A
SCHEMBL7894568 0.70 ATM (0.42) ALDH1A1TDP1HSD17B1MAPTVCAM1

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
EP-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 WO disclosed