SCHEMBL19980104

SCHEMBL19980104

Cc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2-n2cncn2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
TP53 P04637 3/20 0.39
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CSNK2A2 P19784 1/20 0.34

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
SCHEMBL19980213 0.78 POLB (0.44) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19980217 0.78 GAA (0.38) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19980109 0.76 NPC1 (0.40) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19979894 0.75 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19979898 0.74 HPGD (0.48) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19980105 0.73 MAPT (0.44) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19979955 0.73 HPGD (0.39) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL19980126 0.73 HPGD (0.43) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19980223 0.71 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL29883555 0.69 XPO1 (0.56) KDM4ETP53ALOX15ALDH1A1SMN1; SMN2

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
WO-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed