SCHEMBL6202451

SCHEMBL6202451

O=C(O)Oc1ccc([N+](=O)[O-])o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 7/20 0.43
HTT P42858 3/20 0.43
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRNA4 P43681 1/20 0.39

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
SCHEMBL27863448 0.85 MAPT (0.50) L3MBTL1KMT2ATDP1POLBMAPT
SCHEMBL11016938 0.80 TDP1 (0.43) L3MBTL1KMT2ATDP1POLBMAPT
Hydrochloric Acid SCHEMBL27672371 0.78 TDP1 (0.42) L3MBTL1KMT2ATDP1POLBMAPT
SCHEMBL377017 0.77 KMT2A (0.32) KMT2ATDP1ALDH1A1MEN1
SCHEMBL15617561 0.75 KMT2A (0.45) L3MBTL1KMT2ATDP1POLBMAPT
SCHEMBL15200988 0.72 LMNA (0.58) L3MBTL1KMT2ATDP1POLBMAPT
SCHEMBL13665380 0.72 LMNA (0.46) L3MBTL1KMT2ATDP1POLBMAPT
5-Nitro-2-Furoic Acid SCHEMBL1221377 0.71 LMNA (0.58) L3MBTL1KMT2ATDP1POLBLMNA
SCHEMBL28692686 0.70 LMNA (0.51) L3MBTL1KMT2ATDP1POLBMAPT
SCHEMBL1823686 0.70

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
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-0683659-B1 A METHOD FOR STIMULATING HAIR GROWTH WITH CATIONIC DERIVATIVES OF MINOXIDIL USING THERAPEUTIC IONTOPHORESIS TULSA FORTE PHARMACY ENTPR INC (US) 2002-08-21 EP claimed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed