SCHEMBL6645702

SCHEMBL6645702

[CH2]c1ccc(C(N)=NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6645697 1.00 LMNA (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL6654456 0.88 NR4A1 (0.51) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7399817 0.87 RAB9A (0.49) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7404735 0.86 ALDH1A1 (0.50) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL5045569 0.86 LMNA (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL5177381 0.86 LMNA (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5045567 0.84 MAOB (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5045565 0.84 MAOB (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL7367834 0.82 RAB9A (0.46) LMNAKMT2ATDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL15251682 0.80 KMT2A (0.45) LMNAKMT2ATDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 EP disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed