SCHEMBL8987828

SCHEMBL8987828

CC(=O)N(c1ccc(Oc2ccc(Cl)cc2)cc1)c1ccnc(C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MT-CO2 P00403 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 2/20 0.34
MAPK14 Q16539 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TNK2 Q07912 1/20 0.33
LMNA P02545 1/20 0.33
PTGIR P43119 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8987811 0.89 TSHR (0.40) SCN9AMAPK14PTGIR
SCHEMBL8987993 0.86 SCN9A (0.37) MMP2MMP9SCN9A
SCHEMBL8987729 0.85 TSHR (0.41) SCN9AMAPK14TNK2PTGIR
SCHEMBL8987840 0.82 MMP2 (0.40) GAAMMP2MMP9MT-CO2NPSR1
SCHEMBL8987785 0.82 PROKR1 (0.38) MMP2MMP9SCN9ATNK2
SCHEMBL8987794 0.81 CACNA1G (0.37) SCN9ALMNARAB9AALDH1A1
SCHEMBL8987900 0.80 MAPK14 (0.38) GAAMMP2MMP9MT-CO2NPSR1
SCHEMBL8987839 0.80 MMP2 (0.41) GAAMMP2MMP9MT-CO2NPSR1
SCHEMBL8988077 0.78 TNK2 (0.46) MAPK14TNK2
SCHEMBL8988017 0.77 SCN9A (0.37) NPSR1SCN9ALMNARAB9AALDH1A1

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
US-5556859-A N-(4-pyrimidinyl)amide pesticides DOWELANCO (US) 1996-09-17 US disclosed