SCHEMBL12424062

SCHEMBL12424062

Cc1cc(OCCOC2CCCCO2)ccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.56
MAPK12 P53778 12/20 0.56
MAPK11 Q15759 12/20 0.56
MAPK14 Q16539 12/20 0.56
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.34
P2RX3 P56373 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
EPHA2 P29317 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
SCHEMBL2200151 0.96 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198346 0.93 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196352 0.90 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL12424162 0.88 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2199324 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196202 0.87 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2196282 0.87 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198441 0.87 MAPK1 (0.40) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2197456 0.86 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2198452 0.85 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14MEN1

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