SCHEMBL6656529

SCHEMBL6656529

Nc1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.60
MAPK12 P53778 3/20 0.60
MAPK11 Q15759 3/20 0.60
MAPK14 Q16539 3/20 0.60
AKR1C3 P42330 11/20 0.57
AKR1C2 P52895 11/20 0.57
DHODH Q02127 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49
SERPINE1 P05121 1/20 0.49
PBRM1 Q86U86 1/20 0.49

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
SCHEMBL2127855 0.88 AKR1C3 (0.62) AKR1C3AKR1C2KDM4EALDH1A1GAA
SCHEMBL11798862 0.85 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL6652677 0.84 ALDH1A1 (0.69) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL6656304 0.83 MAPT (0.61) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL27496499 0.83 AKR1C3 (0.49) AKR1C3AKR1C2KDM4EALDH1A1GAA
SCHEMBL6653594 0.81 MAPK13 (0.70) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL11419839 0.81 AKR1C3 (0.65) AKR1C3AKR1C2DHODHKDM4EALDH1A1
SCHEMBL11417902 0.81 AKR1C3 (0.67) AKR1C3AKR1C2DHODHKDM4EALDH1A1
SCHEMBL2789324 0.80 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL2791237 0.80 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14DHODH

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