SCHEMBL9704596

SCHEMBL9704596

Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C=NC(C#N)=C(N)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRB3 P28472 15/20 0.35
GABRA2 P47869 14/20 0.35
GABRB2 P47870 14/20 0.35
GABRP O00591 11/20 0.35
GABRD O14764 11/20 0.35
GABRA1 P14867 11/20 0.35
GABRB1 P18505 11/20 0.35
GABRG2 P18507 11/20 0.35
GABRA5 P31644 11/20 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
SCHEMBL9704591 1.00 GAA (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704816 0.82 GAA (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704820 0.82 GAA (0.48) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704199 0.81 MAPT (0.40) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704192 0.81 MAPT (0.40) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704432 0.80 GAA (0.41) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL9704437 0.80 GAA (0.41) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL5245692 0.78 LMNA (0.42) GAAMAPTKDM4EMEN1NPC1
SCHEMBL3191209 0.78 LMNA (0.42) GAAMAPTKDM4EMEN1NPC1
SCHEMBL9502946 0.78 GAA (0.38) GAAMAPTALDH1A1KDM4EMEN1

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-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed