SCHEMBL6742072

SCHEMBL6742072

[CH2]Cc1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 6/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
CYP19A1 P11511 1/20 0.40
CYP3A4 P08684 3/20 0.39
LMNA P02545 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
GPR35 Q9HC97 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6403631 0.86 CYP19A1 (0.54) MAPTALDH1A1POLBHTTMEN1
SCHEMBL6739273 0.82 MAPT (0.47) MAPTALDH1A1POLBHTTNPC1
SCHEMBL921902 0.81 MAPT (0.46) MAPTALDH1A1POLBHTTNPC1
SCHEMBL7786787 0.81 HTT (0.58) MAPTALDH1A1POLBHTTNPC1
SCHEMBL922768 0.81 NPC1 (0.47) MAPTALDH1A1POLBHTTNPC1
SCHEMBL65293 0.79 CYP19A1 (0.62) MAPTALDH1A1POLBHTTNPC1
SCHEMBL539064 0.79 ALDH1A1 (0.60) MAPTALDH1A1POLBHTTNPC1
SCHEMBL7083788 0.77 NPC1 (0.48) MAPTALDH1A1POLBHTTNPC1
SCHEMBL18703862 0.77 MAPT (0.50) MAPTALDH1A1POLBHTTNPC1
SCHEMBL9464992 0.75 ALDH1A1 (0.44) MAPTALDH1A1POLBHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed