SCHEMBL4847985

SCHEMBL4847985

O=C(O)c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.60
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.53
TPMT P51580 1/20 0.53
HCAR3 P49019 7/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
APEX1 P27695 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30158739 0.90 CASP6 (0.55) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL5178569 0.87 CASP6 (0.51) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL12479698 0.87 CASP6 (0.51) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL16387106 0.87 TSHR (0.60) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL31615882 0.87 TSHR (0.60) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL10219768 0.84 CASP6 (0.49) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL2876091 0.82 LMNA (0.46) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL16581044 0.82 CASP6 (0.46) CASP6TSHRLMNAALDH1A1TPMT
SCHEMBL11807295 0.82 MAPK1 (0.47) CASP6TSHRLMNAALDH1A1HCAR3
SCHEMBL3768831 0.81 TTR (0.55) CASP6TSHRLMNAALDH1A1TPMT

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-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed