SCHEMBL8316951

SCHEMBL8316951

O=C(Oc1cccc([N+](=O)[O-])c1)C1CCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.54
F2 P00734 1/20 0.52
MAPT P10636 1/20 0.52
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HGFAC Q04756 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CHRNB2 P17787 1/20 0.44

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
SCHEMBL27479893 0.96 POLB (0.63) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL27494818 0.94 MAPT (0.58) POLBL3MBTL1KMT2AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29369650 0.85 POLB (0.45) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL28664226 0.84 F2 (0.56) ALDH1A1F2MAPTSLC6A2SLC6A4
SCHEMBL25346256 0.83 F2 (0.50) POLBALDH1A1F2MAPTSLC6A2
SCHEMBL27474677 0.82 KMT2A (0.71) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL25438843 0.80 ALDH1A1 (0.57) POLBKMT2ASMN1; SMN2ALDH1A1F2
SCHEMBL27504484 0.79 KMT2A (0.66) POLBL3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL7929197 0.78 F2 (0.63) POLBKMT2AHTTALDH1A1F2
SCHEMBL2955782 0.78 F2 (0.63) POLBKMT2AHTTSMN1; SMN2ALDH1A1

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
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed