SCHEMBL8092845

SCHEMBL8092845

O=[N+]([O-])c1ccc(Cc2cc(CBr)c(F)cc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 1/20 0.44
SNCA P37840 2/20 0.41
TDP1 Q9NUW8 4/20 0.38
HSPB1 P04792 3/20 0.38
GPR35 Q9HC97 2/20 0.37
CYP3A4 P08684 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL260847 0.83 ALDH1A1 (0.52) ALDH1A1HIF1ACYP1A2TDP1HSPB1
SCHEMBL29617011 0.83 ALDH1A1 (0.52) ALDH1A1HIF1ACYP1A2TDP1HSPB1
SCHEMBL136817 0.78 CYP1A2 (0.62) ALDH1A1HIF1ACYP1A2TDP1GPR35
SCHEMBL8703100 0.78 HSD17B10 (0.46) ALDH1A1HIF1ACYP1A2SNCATDP1
SCHEMBL830636 0.77 ALDH1A1 (0.56) ALDH1A1HIF1ACYP1A2TDP1CYP3A4
SCHEMBL29471963 0.77 ALDH1A1 (0.56) ALDH1A1HIF1ACYP1A2TDP1CYP3A4
SCHEMBL1869106 0.75 ATM (0.46) ALDH1A1HIF1ACYP1A2SNCATDP1
SCHEMBL5333075 0.75 CYP1A2 (0.66) ALDH1A1HIF1ACYP1A2SNCATDP1
SCHEMBL12982928 0.74 ALDH1A1 (0.49) ALDH1A1HIF1ACYP1A2TDP1HSPB1
SCHEMBL30885438 0.74 ALDH1A1 (0.49) ALDH1A1HIF1ACYP1A2TDP1HSPB1

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-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed