SCHEMBL20076858

SCHEMBL20076858

C=C(Nc1ccccc1)c1c(F)ccc(N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
HDAC3 O15379 4/20 0.36
RAB9A P51151 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
NCOR2 Q9Y618 2/20 0.36
NPC1 O15118 2/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
TAS2R38 P59533 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TYR P14679 1/20 0.35
MAPT P10636 4/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL20076658 0.87 ALDH1A1 (0.41) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL20051587 0.81 GAA (0.62) GAAKMT2AMEN1HDAC3RAB9A
SCHEMBL30739610 0.81 GAA (0.62) GAAKMT2AMEN1HDAC3RAB9A
SCHEMBL20076702 0.70 MEN1 (0.35) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL8302266 0.68 PRKCI (0.45) GAAKMT2AMEN1HDAC3RAB9A
SCHEMBL20076659 0.68
SCHEMBL20050845 0.68 CYP1A2 (0.50) GAAKMT2AMEN1HDAC3RAB9A
SCHEMBL30739988 0.68 CYP1A2 (0.50) GAAKMT2AMEN1HDAC3RAB9A
SCHEMBL670548 0.67 KEAP1 (0.44) GAAKMT2AMEN1HDAC1ALDH1A1
SCHEMBL30296903 0.67 KEAP1 (0.44) GAAKMT2AMEN1HDAC1ALDH1A1

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed