SCHEMBL6652239

SCHEMBL6652239

O=C(c1ccccc1)c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.80
CTSL P07711 3/20 0.80
AKR1C3 P42330 4/20 0.67
AKR1C2 P52895 4/20 0.67
MAPT P10636 7/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
GFER P55789 2/20 0.58
ANO1 Q5XXA6 1/20 0.56
ANO2 Q9NQ90 1/20 0.56
GAA P10253 1/20 0.56
AKR1C4 P17516 1/20 0.56
AKR1C1 Q04828 1/20 0.56
HCAR3 P49019 1/20 0.53
NPC1 O15118 1/20 0.52
TRPA1 O75762 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL354532 0.89 CTSV (1.00) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL4249101 0.88 CTSV (0.86) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL6657520 0.85 CTSV (0.56) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL5174834 0.85 MAPT (0.75) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7875188 0.85 CTSV (0.56) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL27482793 0.84 CTSV (0.71) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL6484456 0.84 CTSV (0.78) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL3030579 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL14069980 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7331642 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT

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