SCHEMBL4189157

SCHEMBL4189157

COC(=O)c1ccc2cc(C(=O)NN)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
PTPN11 Q06124 2/20 0.64
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
PLAU P00749 5/20 0.54
LCK P06239 1/20 0.53
PLAT P00750 2/20 0.51
HGFAC Q04756 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL29365729 0.87 PTPN11 (0.68) MAPTPTPN11CA1CA2PLAU
SCHEMBL69025 0.87 PTPN11 (0.68) MAPTPTPN11CA1CA2PLAU
SCHEMBL808434 0.87 MPO (0.58) MAPTCA1CA2PLAUPLAT
SCHEMBL8732524 0.85 PTPN11 (0.66) MAPTPTPN11CA1CA2PLAU
SCHEMBL5693970 0.84 CA1 (0.71) MAPTCA1CA2PLAUPLAT
SCHEMBL3037608 0.84 PTPN11 (0.66) PTPN11CA1CA2PLAULCK
SCHEMBL3029960 0.84 PTPN11 (0.66) PTPN11CA1CA2PLAULCK
SCHEMBL1303302 0.84 MAPT (0.67) MAPTKDM4EALDH1A1LOXL2
SCHEMBL9979782 0.83 PTPN11 (0.64) MAPTPTPN11CA1CA2PLAU
SCHEMBL1302573 0.83 MAPT (1.00) MAPTCA1CA2KDM4EALDH1A1

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
US-20090143506-A1 Aldehyde inhibitor composition and polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-06-04 US disclosed
EP-1683838-A1 ALDEHYDE INHIBITOR COMPOSITION AND POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-07-26 EP disclosed