SCHEMBL19979956

SCHEMBL19979956

COCCN(N)/C(=N\N)NC(=O)c1ccc(C(F)(F)F)nc1-n1cncn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30

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 0.86 ALDH1A1 (0.36) ALDH1A1HPGDGLASMN1; SMN2KMT2A
SCHEMBL19979876 0.73 TUBB4A (0.35) SCN10AGAATUBB4ATUBBTUBA3C
SCHEMBL19979861 0.72 KMT2A (0.32) ALDH1A1KMT2A
SCHEMBL19979964 0.72 SCN10A (0.36) SCN10A
SCHEMBL19979955 0.71 HPGD (0.39) ALDH1A1HPGDGLASMN1; SMN2KMT2A
SCHEMBL19979908 0.71
SCHEMBL19979825 0.71 PIK3CA (0.30) PIK3CAPIK3CG
SCHEMBL19980105 0.70 MAPT (0.44) ALDH1A1HPGDGLASMN1; SMN2KMT2A
SCHEMBL19979894 0.70 KDM4E (0.40) ALDH1A1HPGDGLASMN1; SMN2KMT2A
SCHEMBL19980138 0.70 TRPV1 (0.39) ALDH1A1SCN10ATUBB4ATUBBTUBA3C

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