SCHEMBL9220328

SCHEMBL9220328

N#CC(N)=C(C#N)N=Cc1c(Cl)cc(OC(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
NPY1R P25929 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL9220325 1.00 GAA (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL3198319 0.84 GAA (0.50) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL3198314 0.84 GAA (0.50) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9225905 0.84 GAA (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9225907 0.84 GAA (0.48) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL10694237 0.78 GAA (0.53) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9215872 0.78 GAA (0.38) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9500764 0.78 GAA (0.38) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9226661 0.70 MAPT (0.50) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL9226658 0.70 MAPT (0.50) GAAMAPTALDH1A1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed