SCHEMBL6123191

SCHEMBL6123191

O=[N+]([O-])c1ccc(C2CC[C@H](c3ccc([N+](=O)[O-])cc3)N2c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
NR3C2 P08235 1/20 0.53
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HSPB1 P04792 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
HSD11B1 P28845 1/20 0.44
ENPP2 Q13822 1/20 0.43
SIRT6 Q8N6T7 2/20 0.43
ADRB1 P08588 1/20 0.43

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
SCHEMBL1982068 1.00 POLB (0.62) POLBNR3C2MAPTALDH1A1LMNA
SCHEMBL1984022 1.00 POLB (0.62) POLBNR3C2MAPTALDH1A1LMNA
SCHEMBL1981826 0.93 POLB (0.55) POLBNR3C2MAPTALDH1A1LMNA
SCHEMBL12977895 0.91 POLB (0.52) POLBNR3C2MAPTALDH1A1LMNA
SCHEMBL1987813 0.85 MEN1 (0.46) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL1982952 0.85 MAPT (0.47) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL1982611 0.85 POLB (0.46) POLBNR3C2MAPTALDH1A1LMNA
SCHEMBL1984298 0.84 ALDH1A1 (0.51) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL1984816 0.83 ALDH1A1 (0.50) POLBMAPTALDH1A1LMNAMAPK1
SCHEMBL13570058 0.82 POLB (0.58) POLBNR3C2MAPTALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed