SCHEMBL6963178

SCHEMBL6963178

CC(O)CCNc1cccc[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL852975 0.75 POLB (0.40) KMT2AKDM4ETDP1LMNAHTT
SCHEMBL14182015 0.75 NPSR1 (0.38) KMT2AL3MBTL1KDM4ETDP1LMNA
SCHEMBL6951347 0.74 CA12 (0.38) KMT2AL3MBTL1KDM4ETDP1LMNA
SCHEMBL1441268 0.73 KCNH3 (0.41) SLC2A1LMNAALDH1A1
SCHEMBL3217738 0.73 MAPT (0.42) KMT2AKDM4ETDP1LMNAHTT
SCHEMBL6947506 0.73 CA12 (0.47) L3MBTL1SLC2A1KDM4ETDP1ALDH1A1
SCHEMBL7711293 0.72 SLC2A1 (0.49) KMT2AL3MBTL1SLC2A1KDM4ETDP1
SCHEMBL4638849 0.71 LMNA (0.34) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL6773271 0.71 KMT2A (0.34) KMT2AL3MBTL1SLC2A1KDM4ETDP1
Bromide SCHEMBL4638146 0.70 LMNA (0.33) KDM4ETDP1LMNAHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102587-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-03-12 EP disclosed
US-6458814-B1 VITRONECTIN RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT OF OSTEOPOROSIS: TREATMENT OF INFLAMMATION, CANCER AND CARDIOVASCULAR DISORDERS, SUCH AS ATHEROSCLEROSIS AND RESTENOSIS, AND DISEASES WHEREIN BONE RESORPTION IS A FACTOR, SMITHKLINE BEECHAM CORPORATION 2002-10-01 US disclosed
EP-1102587-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007544-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-17 WO disclosed