SCHEMBL19979964

SCHEMBL19979964

CN(N)/C(=N\N)NC(=O)c1ccc(C(F)(F)F)nc1-n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.36
DGAT1 O75907 2/20 0.35
KAT6A Q92794 2/20 0.35
HCRTR1 O43613 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
HCRTR2 O43614 2/20 0.33
IDH2 P48735 1/20 0.32
ACLY P53396 1/20 0.32
CAPN1 P07384 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL19980223 0.84 ALDH1A1 (0.36) SCN10ALMNA
SCHEMBL19980138 0.82 TRPV1 (0.39) SCN10ALMNATP53
SCHEMBL19979876 0.79 TUBB4A (0.35) SCN10A
SCHEMBL19979960 0.78 TUBB4A (0.38) NPC1RAB9ALMNA
SCHEMBL19979969 0.78 SMN1; SMN2 (0.37) SCN10ALMNATP53
SCHEMBL19979956 0.72 ALDH1A1 (0.33) SCN10A
SCHEMBL19979963 0.71 POLB (0.47) SCN10AKAT6AHCRTR1NPC1RAB9A
SCHEMBL19979861 0.69 KMT2A (0.32) RAB9A
SCHEMBL19980191 0.67 CHIA (0.35) HCRTR1MALT1HCRTR2CAPN1
SCHEMBL19979908 0.67

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