SCHEMBL11568809

SCHEMBL11568809

Clc1cccc(C2=NNC(c3cccc(Cl)c3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
ROCK2 O75116 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PRKACA P17612 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
LIMK1 P53667 1/20 0.48
PRKCD Q05655 1/20 0.48
STK3 Q13188 1/20 0.48
ROCK1 Q13464 1/20 0.48
CDC42BPA Q5VT25 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL7205979 0.79 MEN1 (0.65) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL7201372 0.79 MAPT (0.49) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL31574527 0.79 CXCL12 (0.46) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL6268223 0.75 MAOA (0.57) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL8024272 0.75 MAOA (0.54) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL31574475 0.74 CXCL12 (0.64) MAPK1GAAHTTNPSR1MEN1
SCHEMBL11528895 0.72 MAOA (0.63) PIM1ROCK2EGFRCSF1RPRKACA
SCHEMBL9135199 0.72 MAOB (0.51) MEN1ALDH1A1KMT2ALMNAHPGD
SCHEMBL16500516 0.70 CA1 (0.57) EGFRALDH1A1MAOACXCL12MAOB
SCHEMBL1072730 0.69 SLC6A3 (0.54) GAAMEN1KMT2AMAPT

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
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed