SCHEMBL2887174

SCHEMBL2887174

CC1(C)Oc2cc([N+](=O)[O-])ccc2C(OC(N)=O)C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.38
ABCC9 O60706 3/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
CACNA1C Q13936 2/20 0.34
CACNA1F O60840 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2887176 1.00 TLR3 (0.38) TLR3ABCC9HIF1ATSHRSIRT2
SCHEMBL14313878 1.00 TLR3 (0.38) TLR3ABCC9HIF1ATSHRSIRT2
SCHEMBL5988483 0.82 ABCC9 (0.40) ABCC9
SCHEMBL5988487 0.82 ABCC9 (0.40) ABCC9
SCHEMBL10396900 0.79 ABCC9 (0.40) TLR3ABCC9HIF1ATSHRKMT2A
SCHEMBL10396898 0.79 ABCC9 (0.40) TLR3ABCC9HIF1ATSHRKMT2A
SCHEMBL10396899 0.79 ABCC9 (0.40) TLR3ABCC9HIF1ATSHRKMT2A
SCHEMBL2891183 0.79 KCNH2 (0.40) TLR3ABCC9KMT2AHTTALDH1A1
SCHEMBL2880124 0.79 KCNH2 (0.40) TLR3ABCC9KMT2AHTTALDH1A1
SCHEMBL5990959 0.79 ABCC9 (0.39) ABCC9KMT2AALDH1A1MEN1MAPT

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
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed