SCHEMBL6653345

SCHEMBL6653345

COc1cccc(C(=O)c2ccc(Nc3ccccc3N)cc2)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.64
MAPK12 P53778 10/20 0.64
MAPK11 Q15759 10/20 0.64
MAPK14 Q16539 10/20 0.64
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
MMP14 P50281 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 3/20 0.47

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
SCHEMBL6651217 0.90 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6651448 0.83 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6653348 0.82 KMT2A (0.60) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6656909 0.80 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL1907238 0.79 MAPT (0.58) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6650992 0.79 GAA (0.49) ALDH1A1MAPTRAB9AMEN1GAA
SCHEMBL6657232 0.78 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6652801 0.78 MAPT (0.75) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL29986971 0.77 MAPT (0.57) ALDH1A1MAPTRAB9AKDM4EMEN1
SCHEMBL322169 0.77 MAPT (0.57) ALDH1A1MAPTRAB9AKDM4EMEN1

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