SCHEMBL4794083

SCHEMBL4794083

Cc1nc(Oc2ccccc2)c(N)c(NC(C)CC(=O)O)c1C.Cc1nc(Oc2ccccc2)c2nc(C)n(C(C)CC(=O)O)c2c1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
EGLN1 Q9GZT9 4/20 0.31
EGLN2 Q96KS0 3/20 0.31
RXRA P19793 1/20 0.31
NR4A2 P43354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL5337859 0.88 L3MBTL1 (0.38) P2RX3L3MBTL1KDM4EEGLN1EGLN2
SCHEMBL5340240 0.87 RXRA (0.38) L3MBTL1KDM4EEGLN1EGLN2RXRA
SCHEMBL5341336 0.72 XDH (0.36) EGLN1EGLN2RXRANR4A2ALDH1A1
SCHEMBL4794080 0.69 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL842220 0.67 MAPT (0.37) KDM4EALDH1A1MAPT
SCHEMBL1232835 0.67 ALDH1A1 (0.36) L3MBTL1EGLN1EGLN2ALDH1A1MAPT
SCHEMBL1232939 0.65 TOP2A (0.37) L3MBTL1KDM4EEGLN2ALDH1A1
SCHEMBL28753431 0.65 TOP2A (0.37) L3MBTL1EGLN2ALDH1A1
SCHEMBL5340227 0.65 KDM4E (0.42) L3MBTL1KDM4EALDH1A1
SCHEMBL4793644 0.64 ALDH1A1 (0.35) P2RX3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed