SCHEMBL6654918

SCHEMBL6654918

Nc1ccc(C(=O)c2ccccc2Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
MAPT P10636 4/20 0.50
AKR1C3 P42330 2/20 0.50
GAA P10253 1/20 0.50
BCHE P06276 1/20 0.50
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIG1 P18858 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44

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
Aniline SCHEMBL28546981 0.91 MAPT (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3839155 0.88 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL3842158 0.86 AKR1C3 (0.60) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL10457007 0.86 GAA (0.59) MAPTAKR1C3GAAPOLBKMT2A
SCHEMBL3677894 0.84 AKR1C3 (0.69) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL29913321 0.84 AKR1C3 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL723657 0.84 AKR1C3 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL20157913 0.82 LIG1 (0.66) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL28404270 0.82 MAPT (0.67) MAPTAKR1C3GAAPOLBKMT2A
SCHEMBL6404312 0.81 CDC25B (0.67) MAPK13MAPK12MAPK11MAPK14MAPT

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 4 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
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 EP disclosed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 WO disclosed