SCHEMBL6653475

SCHEMBL6653475

COc1ccc(C(=O)c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
AKR1C3 P42330 4/20 0.62
AKR1C2 P52895 4/20 0.62
GAA P10253 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
MAPK1 P28482 6/20 0.58
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 3/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 2/20 0.56
CASP7 P55210 1/20 0.56
GLA P06280 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
SCHEMBL30310075 0.91 MAPK1 (0.68) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL3913669 0.91 MAPK1 (0.68) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL6655518 0.86 PKM (0.55) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL3914644 0.86 MAPK1 (0.71) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL6654042 0.84 ALDH1A1 (0.59) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL6652829 0.84 KMT2A (0.61) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL3497986 0.84 MAPT (0.64) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL6659240 0.83 MEN1 (0.53) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL28026099 0.83 MAPT (0.59) MAPTAKR1C3AKR1C2GAAKMT2A
SCHEMBL6656393 0.83 MAPK1 (0.62) MAPTAKR1C3AKR1C2GAAKMT2A

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