SCHEMBL4039221

SCHEMBL4039221

CNc1ccc(C(=O)OC(=O)c2ccc(Cl)nn2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.40
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL4039216 0.84 ALDH1A1 (0.43) MAPTGAAALDH1A1POLBJUN
SCHEMBL3057718 0.79
SCHEMBL474101 0.78 MAPK1 (0.47) MAPTALDH1A1JUNNFKB1NFKB2
SCHEMBL29552833 0.78 MAPK1 (0.47) MAPTALDH1A1JUNNFKB1NFKB2
SCHEMBL4041873 0.74 CYP1A2 (0.50) MAPTGAAALDH1A1POLBSMN1; SMN2
SCHEMBL4042156 0.72 HCAR3 (0.48) ALDH1A1LMNAKDM4EHCAR3NNMT
SCHEMBL667384 0.71 NFKB1 (0.51) MAPTGAAALDH1A1POLBJUN
SCHEMBL30670211 0.70 LMNA (0.55) JUNNFKB1NFKB2RELALMNA
SCHEMBL26657700 0.70 ALDH1A1 (0.44) MAPTALDH1A1JUNNFKB1NFKB2
SCHEMBL20046201 0.70 LMNA (0.55) JUNNFKB1NFKB2RELALMNA

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