SCHEMBL6936376

SCHEMBL6936376

O=C(O/N=C/C(Cl)C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 6/20 0.56
MIF P14174 1/20 0.50
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL6936380 1.00 PLA2G7 (0.56) PLA2G7MIFTSHRTP53F2
SCHEMBL734681 0.78 PLA2G7 (0.67) PLA2G7MIFTSHRTP53F2
SCHEMBL734682 0.78 PLA2G7 (0.67) PLA2G7MIFTSHRTP53F2
SCHEMBL2532511 0.73 PLA2G7 (0.65) PLA2G7MIFTSHRF2LMNA
SCHEMBL2890648 0.73 PLA2G7 (0.65) PLA2G7MIFTSHRF2LMNA
SCHEMBL10406729 0.73 PLA2G7 (0.65) PLA2G7MIFTSHRF2LMNA
SCHEMBL3222745 0.72 PLA2G7 (1.00) PLA2G7MIFF2LMNACYP1A2
SCHEMBL3222751 0.72 PLA2G7 (1.00) PLA2G7MIFF2LMNACYP1A2
SCHEMBL28069049 0.72 PLA2G7 (0.65) PLA2G7MIFTSHRTP53F2
SCHEMBL10869672 0.70 SMN1; SMN2 (0.53) PLA2G7TSHRTP53F2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979814-B1 Improved synthesis of haloformimine compounds ROHM & HAAS (US) 2003-10-22 EP claimed