SCHEMBL44411

SCHEMBL44411

COCCOc1cc(CNC(=O)Cc2cccc(OC)c2)cc(-c2cn3ncccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ROCK1 Q13464 6/20 0.42
ROCK2 O75116 1/20 0.42
WDR5 P61964 1/20 0.41
CYP3A4 P08684 4/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
PRKACA P17612 3/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
GRK5 P34947 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
CTSD P07339 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL44471 0.88 ROCK1 (0.40) LMNAROCK1ROCK2WDR5MAPT
SCHEMBL44007 0.87 ALDH1A1 (0.41) LMNAROCK1ROCK2WDR5HTT
SCHEMBL44171 0.86 ROCK1 (0.41) ROCK1ROCK2WDR5
SCHEMBL44731 0.83 ROCK1 (0.39) ROCK1ROCK2WDR5
SCHEMBL44165 0.82 LMNA (0.48) LMNAROCK1ROCK2WDR5CYP3A4
SCHEMBL12951392 0.82 WDR5 (0.41) ROCK1ROCK2WDR5CYP3A4MAPT
SCHEMBL13844884 0.82 WDR5 (0.41) LMNAROCK1ROCK2WDR5CYP3A4
SCHEMBL44338 0.82 WDR5 (0.41) LMNAROCK1ROCK2WDR5CYP3A4
SCHEMBL12951391 0.82 WDR5 (0.41) LMNAROCK1ROCK2WDR5CYP3A4
SCHEMBL43999 0.80 EGLN2 (0.45) ROCK1ROCK2WDR5CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed