SCHEMBL10079577

SCHEMBL10079577

C#CC(C)c1ccc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 4/20 0.41
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.33
PDE2A O00408 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 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
SCHEMBL9729680 0.80 LMNA (0.59) PYCR1MAPK1LMNATP53HTT
SCHEMBL2413818 0.79 MAPK1 (0.42) PYCR1MAPK1LMNATP53HTT
SCHEMBL27490666 0.78 MAPK1 (0.41) PYCR1MAPK1LMNATP53HTT
SCHEMBL2004602 0.76 LMNA (0.64) PYCR1MAPK1LMNATP53HTT
SCHEMBL22664912 0.76 LMNA (0.64) PYCR1MAPK1LMNATP53HTT
SCHEMBL31705019 0.76 LMNA (0.64) PYCR1MAPK1LMNATP53HTT
SCHEMBL2502857 0.76 PDE2A (0.55) PYCR1MAPK1LMNATP53HTT
SCHEMBL9910111 0.76 PDE2A (0.55) PYCR1MAPK1LMNATP53HTT
SCHEMBL2698362 0.76 PDE2A (0.55) PYCR1MAPK1LMNATP53HTT
SCHEMBL9910114 0.76 LMNA (0.64) PYCR1MAPK1LMNATP53HTT

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