SCHEMBL19980223

SCHEMBL19980223

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
SCN10A Q9Y5Y9 3/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 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
SCHEMBL19979956 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EGAASCN10AHPGD
SCHEMBL19979861 0.85 KMT2A (0.32) ALDH1A1KMT2A
SCHEMBL19979964 0.84 SCN10A (0.36) SCN10ALMNA
SCHEMBL19979825 0.83 PIK3CA (0.30) PIK3CAPIK3CG
SCHEMBL19979908 0.83
SCHEMBL19980138 0.82 TRPV1 (0.39) ALDH1A1SCN10ACYP1A2CYP2C19TUBB4A
SCHEMBL19979876 0.81 TUBB4A (0.35) GAASCN10ATUBB4ATUBBTUBA3C
SCHEMBL19980191 0.80 CHIA (0.35) ALDH1A1KDM4EGLAKMT2A
SCHEMBL19979960 0.78 TUBB4A (0.38) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19979969 0.78 SMN1; SMN2 (0.37) ALDH1A1GAASCN10ASMN1; SMN2TSHR

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