SCHEMBL6656847

SCHEMBL6656847

CC(C)(C)c1ccc(C(=O)c2ccc(Nc3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.58
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
PKM P14618 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 4/20 0.56
CASP7 P55210 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.51
ATM Q13315 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
HCAR3 P49019 1/20 0.50
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 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
SCHEMBL28172411 0.91 MAPK1 (0.68) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6652401 0.87 MAPK1 (0.58) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL3914644 0.86 MAPK1 (0.71) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6652722 0.83 PHGDH (0.64) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6656393 0.83 MAPK1 (0.62) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL27481715 0.83 MAPK1 (0.65) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6677786 0.83 MAPK1 (0.65) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6653475 0.82 MAPT (0.66) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL6169544 0.81 NPC1 (0.78) MAPK1MAPTTDP1KMT2AGAA
SCHEMBL11327756 0.81 KMT2A (0.68) MAPK1MAPTTDP1KMT2AGAA

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