SCHEMBL4039216

SCHEMBL4039216

CNc1ccc(C(=O)O)nn1.O=C(O)c1ccc(Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.42
HCAR3 P49019 1/20 0.41
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
VNN1 O95497 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL4042156 0.89 HCAR3 (0.48) ALDH1A1HCAR3KDM4ELMNAVNN1
SCHEMBL4039221 0.84 MAPT (0.41) ALDH1A1GAAMAPTPOLBHCAR3
SCHEMBL380569 0.84 JUN (0.45) ALDH1A1GAAMAPTPOLBJUN
SCHEMBL3057718 0.82
SCHEMBL7061812 0.75 KDM5B (0.44) ALDH1A1JUNNFKB1NFKB2RELA
SCHEMBL667384 0.73 NFKB1 (0.51) ALDH1A1GAAMAPTPOLBJUN
SCHEMBL17203063 0.72 KDM4E (0.41) ALDH1A1GAAMAPTPOLBKDM4E
SCHEMBL27730835 0.71 ALDH1A1 (0.47) ALDH1A1GAAMAPTHCAR3KDM4E
SCHEMBL15201093 0.71 MAPT (0.52) ALDH1A1GAAMAPTPOLBJUN
SCHEMBL698657 0.71 KDM4E (0.52) ALDH1A1MAPTKDM4ELMNAHPGD

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-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 WO disclosed