SCHEMBL9959517

SCHEMBL9959517

C#Cc1cccnc1Cl.c1cc2ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2A6 P11509 1/20 0.32
NFE2L2 Q16236 2/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MPI P34949 1/20 0.31
ACLY P53396 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
SCHEMBL5700564 0.94
SCHEMBL10847910 0.87 GRM5 (0.38) GRM5MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29530718 0.72
SCHEMBL119023 0.72
SCHEMBL1859075 0.72
SCHEMBL27711883 0.72 ALDH1A1 (0.47) GRM5MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3251979 0.72 ALDH1A1 (0.36) TDP1ALDH1A1NPSR1
SCHEMBL29003 0.72 TDP1 (0.39) GRM5MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28492001 0.72 TSHR (0.43) GRM5MEN1KMT2ALMNAALDH1A1
SCHEMBL30800867 0.71 ALDH1A1 (0.46) GRM5MEN1KMT2ASMN1; SMN2LMNA

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-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed