SCHEMBL6656828

SCHEMBL6656828

C=CCOc1ccccc1C(=O)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.58
KDM4E B2RXH2 2/20 0.48
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43
PARP1 P09874 1/20 0.41
ABCB1 P08183 4/20 0.41
STS P08842 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL132849 0.89 LIG1 (0.63) LIG1KDM4ETSHRHSD17B10CYP3A4
SCHEMBL22215906 0.88 LIG1 (0.58) LIG1KDM4ETSHRHSD17B10CYP3A4
SCHEMBL11855972 0.87 LIG1 (0.57) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL9696302 0.86 LIG1 (0.71) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL6651327 0.83 MAPK13 (0.58) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3798396 0.80 KDM4E (0.71) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL9278150 0.79 LIG1 (0.48) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL4063222 0.79 LIG1 (0.61) LIG1KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL4001987 0.79 LIG1 (0.48) LIG1KDM4EALDH1A1ADRB2ADRB1
SCHEMBL6922197 0.78 LIG1 (0.65) LIG1KDM4ETSHRHSD17B10ALDH1A1

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