SCHEMBL6652056

SCHEMBL6652056

C=CCc1cccc(C(=O)c2ccc(Nc3ccccc3N)cc2)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.57
MAPK12 P53778 10/20 0.57
MAPK11 Q15759 10/20 0.57
MAPK14 Q16539 10/20 0.57
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
APP P05067 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 4/20 0.39

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
SCHEMBL6674558 0.83 KMT2A (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL508302 0.79 GABRA1 (0.53) MAPTKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6674463 0.78 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14HDAC3
SCHEMBL6655017 0.77 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6651327 0.76 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL11854227 0.76 GABRA1 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL680147 0.75 GABRA1 (0.61) MAPTKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6655143 0.73 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL6657232 0.73 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6656349 0.73 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14HDAC3

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 3 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 claimed
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