SCHEMBL12424162

SCHEMBL12424162

Cc1cc(OCCOC2CCCCO2)ccc1C(=O)c1ccc(Nc2ccc(Br)cc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
MAPK11 Q15759 5/20 0.46
MAPK14 Q16539 5/20 0.46
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HCAR3 P49019 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2198452 0.96 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2199982 0.91 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2198346 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL12424062 0.88 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2197543 0.85 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2200151 0.85 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2199324 0.85 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2196202 0.85 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2198441 0.84 MAPK1 (0.40) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2196282 0.84 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KMT2A

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
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed