SCHEMBL6652073

SCHEMBL6652073

CCOc1ccc(C(=O)c2ccc(Nc3ccccc3N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.68
MAPK12 P53778 7/20 0.68
MAPK11 Q15759 7/20 0.68
MAPK14 Q16539 7/20 0.68
RAB9A P51151 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
MMP14 P50281 1/20 0.54
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL5832931 0.89 MAPT (0.66) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6652801 0.85 MAPT (0.75) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6651388 0.85 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL27481721 0.84 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL3978775 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6652637 0.81 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6652505 0.81 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6655518 0.80 PKM (0.55) RAB9AKMT2AMAPTALDH1A1MEN1
SCHEMBL2255472 0.80 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL6651517 0.77 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAB9A

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed