SCHEMBL6651389

SCHEMBL6651389

Cc1cc(C(=O)c2ccccc2)ccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.52
VCAM1 P19320 1/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HCAR3 P49019 1/20 0.50
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
MAPK14 Q16539 2/20 0.49
CDC25B P30305 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 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
SCHEMBL6651240 0.88 MAPK13 (0.66) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL27553444 0.85 AKR1C3 (0.57) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL27496168 0.85 AKR1C3 (0.56) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL27498162 0.85 VCAM1 (0.63) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL27482795 0.84 AKR1C3 (0.55) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL27497520 0.81 AKR1C3 (0.53) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL3914644 0.81 MAPK1 (0.71) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL5981573 0.81 TSHR (0.71) MEN1KMT2APOLBMAPK1VCAM1
SCHEMBL27483517 0.80 MAPK13 (0.67) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL6678800 0.80 MAPK13 (0.66) AKR1C3AKR1C2MEN1KMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188388-C Aminobenzophenones as inhibitors of interleukin and TNF LEO PHARM PROD LTD (DK) 2005-02-09 CN disclosed
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