SCHEMBL8987900

SCHEMBL8987900

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.36
MT-CO2 P00403 1/20 0.35
LIPE Q05469 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8987617 0.88 MAPK14 (0.40) MAPK14SCN9A
SCHEMBL8987860 0.86 SCN9A (0.38) MMP2MMP9SCN9ALIPELMNA
SCHEMBL8987832 0.85 SCN9A (0.39) MMP2SCN9AALDH1A1LMNAMEN1
SCHEMBL8987840 0.84 MMP2 (0.40) MAPK14MMP2MMP9GAASCN9A
SCHEMBL8987839 0.81 MMP2 (0.41) MAPK14MMP2MMP9GAASCN9A
SCHEMBL8988097 0.81 KDM4C (0.36) MAPK14ALDH1A1LMNAMEN1CYP1A2
SCHEMBL8987828 0.80 GAA (0.39) MAPK14MMP2MMP9GAASCN9A
SCHEMBL8987753 0.76 MAPK14 (0.41) MAPK14SCN9AMAPT
SCHEMBL8987790 0.72 LIPE (0.40) MMP2MMP9SCN9ALIPELMNA
SCHEMBL8987823 0.72 LIPE (0.45) SCN9ALIPECYP3A4

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