SCHEMBL7913020

SCHEMBL7913020

NC1(Oc2cccc([N+](=O)[O-])c2)C=C([N+](=O)[O-])C=CC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HGFAC Q04756 1/20 0.37
TSHR P16473 1/20 0.36
LPAR3 Q9UBY5 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL7919728 0.88 ALOX5 (0.33) MEN1KMT2A
SCHEMBL7921835 0.69
SCHEMBL7913124 0.68 CES2 (0.35) F2TP53ALDH1A1TSHRCES2
SCHEMBL29709134 0.66 MEN1 (0.63) F2TP53ALDH1A1HGFACTSHR
SCHEMBL148916 0.66 MEN1 (0.63) F2TP53ALDH1A1HGFACTSHR
SCHEMBL11195246 0.65 F2 (0.61) F2TP53ALDH1A1HGFACTSHR
SCHEMBL7929197 0.63 F2 (0.63) F2TP53ALDH1A1HGFACTSHR
SCHEMBL2955782 0.63 F2 (0.63) F2TP53ALDH1A1HGFACTSHR
SCHEMBL4766454 0.63 TSHR (0.61) F2ALDH1A1HGFACTSHRCES2
SCHEMBL4203388 0.62 TSHR (0.67) F2ALDH1A1TSHRLPAR3MEN1

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
US-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US claimed
US-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed