SCHEMBL27722384

SCHEMBL27722384

CCCCc1cc(NNC(=O)OCC(Cl)(Cl)Cl)n(-c2ccc(CC)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK14 Q16539 7/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL27742974 0.89 LMNA (0.38) ALDH1A1LMNAL3MBTL1MAPK14ALOX5
SCHEMBL28776251 0.83 SLC16A3 (0.39) ALDH1A1LMNAL3MBTL1MAPK14ALOX5
SCHEMBL7500570 0.81 LMNA (0.46) ALDH1A1LMNAL3MBTL1MAPK14HPGD
SCHEMBL3179284 0.76 CDK8 (0.52) MAPK14HPGDCCNCCDK8JAK2
SCHEMBL27944346 0.74 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1ALOX5HPGD
SCHEMBL27794319 0.74 MAP3K7 (0.39) ALDH1A1LMNAMAPK14HPGDKDM4E
SCHEMBL27767837 0.73 ALDH1A1 (0.58) ALDH1A1LMNAL3MBTL1ALOX5CNR1
SCHEMBL27767901 0.73 LMNA (0.46) ALDH1A1LMNAL3MBTL1MAPK14ALOX5
SCHEMBL15995545 0.70 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1MAPK14ALOX5
SCHEMBL15007941 0.69 MAPK14 (0.56) MAPK14HPGDCCNCCDK8JAK2

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
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 — — CN disclosed
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