SCHEMBL6654792

SCHEMBL6654792

Nc1ccccc1Nc1ccc(C(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.68
MAPK12 P53778 6/20 0.68
MAPK11 Q15759 6/20 0.68
MAPK14 Q16539 6/20 0.68
PTGS1 P23219 5/20 0.63
GAA P10253 3/20 0.63
MAPT P10636 3/20 0.63
ALDH1A1 P00352 2/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
SRD5A2 P31213 1/20 0.57
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6652827 0.88 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14PTGS1
SCHEMBL6657103 0.85 GAA (0.72) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6655478 0.83 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL3978775 0.82 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6655634 0.81 AKR1B1 (0.56) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6652732 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6658069 0.81 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6653092 0.81 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL6651517 0.78 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL27497826 0.78 MAPK13 (0.91) MAPK13MAPK12MAPK11MAPK14GAA

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