SCHEMBL7543757

SCHEMBL7543757

COc1c(Nc2ccccc2N)cc(C(=O)c2ccccc2Cl)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.56
MAPK13 O15264 9/20 0.56
MAPK12 P53778 9/20 0.56
MAPK11 Q15759 9/20 0.56
RECQL P46063 1/20 0.45
TOP1 P11387 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
TP53 P04637 1/20 0.39
CLCN2 P51788 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7198670 0.73 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL6654479 0.72 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL9117129 0.72 MEN1 (0.45) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL7192115 0.71 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL11754533 0.70 MAPK13 (0.56) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL3821131 0.70 LMNA (0.64) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL6655143 0.70 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL3822798 0.69 RECQL (0.56) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL3825882 0.69 LMNA (0.59) MAPK14MAPK13MAPK12MAPK11RECQL
SCHEMBL4707059 0.69 RECQL (0.73) MAPK14MAPK13MAPK12MAPK11RECQL

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-2002045752-A2 DERMAL ANTI-INFLAMMATORY COMPOSITION LEO PHARMA A/S (DK) 2002-06-13 WO claimed