SCHEMBL9225907

SCHEMBL9225907

N#CC(N)=C(C#N)N=Cc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
NPY1R P25929 1/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
BLM P54132 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL9225905 1.00 GAA (0.48) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL9220325 0.84 GAA (0.48) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL9220328 0.84 GAA (0.48) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL9226661 0.82 MAPT (0.50) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL9226658 0.82 MAPT (0.50) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10696555 0.82 MAPT (0.61) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10696561 0.82 MAPT (0.61) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10696551 0.82 MAPT (0.61) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10694237 0.81 GAA (0.53) GAAMAPTALDH1A1KDM4ENPC1
SCHEMBL10695228 0.74 ALDH1A1 (0.70) GAAMAPTALDH1A1KDM4ENPC1

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 4 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
CN-1030577-A Disinsection method with 2-phenylimidazole derivative MAY & BAKER CO LTD (GB) 1989-01-25 CN disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed