SCHEMBL6652801

SCHEMBL6652801

COc1ccc(C(=O)c2ccc(Nc3ccccc3N)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
GAA P10253 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
KDM4E B2RXH2 1/20 0.75
ALDH1A1 P00352 1/20 0.75
THRB P10828 1/20 0.75
HTT P42858 1/20 0.75
RECQL P46063 1/20 0.75
MMP14 P50281 1/20 0.75
RAB9A P51151 1/20 0.75
MAPK14 Q16539 8/20 0.73
MAPK13 O15264 7/20 0.73
MAPK12 P53778 7/20 0.73
MAPK11 Q15759 7/20 0.73
HDAC1 Q13547 6/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63

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
SCHEMBL30039228 0.88 MAPT (0.96) MAPTMEN1KMT2AGAATDP1
SCHEMBL3979459 0.88 MAPT (0.96) MAPTMEN1KMT2AGAATDP1
Hydrochloric Acid SCHEMBL6438776 0.86 MAPT (1.00) MAPTMEN1KMT2AGAATDP1
SCHEMBL6652073 0.85 MAPK13 (0.68) MAPTMEN1KMT2AGAATDP1
SCHEMBL3978775 0.85 MAPK13 (1.00) MAPTMEN1KMT2AGAATDP1
SCHEMBL6651448 0.83 MAPK13 (0.64) MAPTMEN1KMT2AGAATDP1
SCHEMBL6651217 0.82 MAPK13 (0.70) MAPTMEN1KMT2AGAATDP1
SCHEMBL3499186 0.82 SIRT2 (0.68) MAPTMEN1KMT2AGAATDP1
SCHEMBL6656458 0.82 MAPK13 (0.66) MAPTMEN1KMT2AGAATDP1
SCHEMBL10656539 0.82 MAPK13 (0.70) MAPTMEN1KMT2AGAATDP1

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