SCHEMBL22682127

SCHEMBL22682127

O=CC1=CCCc2cc(Oc3ccccc3Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
ABL1 P00519 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MPO P05164 1/20 0.35
EZH2 Q15910 1/20 0.33
MAPK14 Q16539 1/20 0.33
XIAP P98170 1/20 0.33

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
SCHEMBL17361887 0.78 ABL1 (0.39) ABL1KDM4CXIAP
SCHEMBL17361672 0.74 MAOB (0.54)
SCHEMBL5327197 0.70 MEN1 (0.36) MPO
SCHEMBL29648452 0.70 CES1 (0.43)
SCHEMBL7749803 0.70 CES1 (0.43)
SCHEMBL25333934 0.69 LMNA (0.50) ARABL1XIAP
SCHEMBL22681671 0.69 NPC1 (0.51) ARABL1KDM4C
SCHEMBL2317083 0.67 ALDH1A1 (0.49) MAPK14XIAP
SCHEMBL30758635 0.67 ALDH1A1 (0.49) MAPK14XIAP
SCHEMBL27784339 0.67 CYP2A6 (0.46) ARABL1KDM4CEZH2MAPK14

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
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed