SCHEMBL7711293

SCHEMBL7711293

O=C(O)CCNc1cccc[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
NSD2 O96028 1/20 0.43
BLM P54132 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SIRT5 Q9NXA8 2/20 0.38

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
SCHEMBL6860751 0.90 SLC2A1 (0.47) SLC2A1ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6947506 0.78 CA12 (0.47) SLC2A1ALDH1A1HSD17B10KDM4EL3MBTL1
SCHEMBL852975 0.76 POLB (0.40) ALDH1A1HPGDHSD17B10KMT2APOLB
SCHEMBL6951347 0.75 CA12 (0.38) ALDH1A1HSD17B10KMT2AKDM4EL3MBTL1
SCHEMBL3217738 0.75 MAPT (0.42) ALDH1A1HPGDHSD17B10KMT2APOLB
SCHEMBL6177680 0.73 KCNH3 (0.42) ALDH1A1HPGDHSD17B10KMT2APOLB
SCHEMBL17627325 0.73 KDM4E (0.41) SLC2A1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL14182015 0.72 NPSR1 (0.38) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL4638849 0.72 LMNA (0.34) ALDH1A1MAPTKDM4ETDP1LMNA
SCHEMBL6963178 0.72 KMT2A (0.34) SLC2A1ALDH1A1KMT2AKDM4EL3MBTL1

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
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed