SCHEMBL6633622

SCHEMBL6633622

Cc1ccccc1C(=O)c1ccc(Nc2ccccc2COCCO[C@@H]2CCCCO2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.53
MAPK13 O15264 12/20 0.53
MAPK12 P53778 12/20 0.53
MAPK11 Q15759 12/20 0.53
P2RX3 P56373 4/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6096979 1.00 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6093389 0.99 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6096902 0.99 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6097390 0.96 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6096995 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6631597 0.88 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6096975 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6093751 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6097384 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11P2RX3
SCHEMBL6095283 0.82 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CYP1A2

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-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP claimed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 WO claimed