SCHEMBL6652722

SCHEMBL6652722

O=C(c1ccc(Cl)cc1)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.64
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 5/20 0.62
TDP1 Q9NUW8 3/20 0.62
MAPK1 P28482 2/20 0.62
GAA P10253 2/20 0.62
PKM P14618 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CASP7 P55210 1/20 0.60
EPAS1 Q99814 1/20 0.54
MAPK13 O15264 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
MAPK14 Q16539 2/20 0.54
HCAR3 P49019 1/20 0.53
VCAM1 P19320 1/20 0.49
IDO1 P14902 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL6656377 0.91 MEN1 (0.58) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL3914644 0.90 MAPK1 (0.71) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL247794 0.90 L3MBTL1 (0.74) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL6653114 0.89 MEN1 (0.56) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL28296290 0.87 VCAM1 (0.58) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL6656673 0.86 MAPK13 (0.64) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL6654262 0.86 MAPK13 (0.71) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL6656393 0.86 MAPK1 (0.62) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL27481715 0.86 MAPK1 (0.65) PHGDHMEN1KMT2AMAPTTDP1
SCHEMBL6677786 0.86 MAPK1 (0.65) PHGDHMEN1KMT2AMAPTTDP1

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