SCHEMBL18133166

SCHEMBL18133166

COc1ccc(-c2ccc(CCC(N)=O)n2-c2ccc(C(=O)N(C)C)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KDM4E B2RXH2 7/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
F2 P00734 1/20 0.48
ATM Q13315 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
ADH5 P11766 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 5/20 0.48
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
POLB P06746 5/20 0.40

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
SCHEMBL242208 0.91 MAPT (0.59) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL3260075 0.89 MAPT (0.47) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL18124134 0.86 MAPT (0.53) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL1903922 0.85 MAPT (0.48) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL242209 0.83 ADH5 (0.67) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL18124133 0.82 MAPT (0.57) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL1973775 0.81 PTGS1 (0.57) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL1826897 0.81 ADH5 (0.54) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL244757 0.78 MAPT (0.69) MAPTKDM4EMEN1KMT2ATDP1
SCHEMBL1837441 0.78 MAPT (0.52) MAPTKDM4EMEN1KMT2ATDP1

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-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed