SCHEMBL7666697

SCHEMBL7666697

O=C(O)C1CCCN1c1ccccc1S(=O)(=O)Oc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.39
KEAP1 Q14145 4/20 0.38
FFAR2 O15552 1/20 0.38
SERPINE1 P05121 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.35
HTR6 P50406 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
SCHEMBL7170239 0.77 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKEAP1FFAR2SERPINE1
SCHEMBL1653895 0.73 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKEAP1SERPINE1ALDH1A1
SCHEMBL2035385 0.72 NOTUM (0.55) SMN1; SMN2MAPTKEAP1ALDH1A1MEN1
SCHEMBL31240267 0.72 NOTUM (0.55) SMN1; SMN2MAPTKEAP1ALDH1A1MEN1
SCHEMBL7981185 0.71 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKEAP1SERPINE1ALDH1A1
SCHEMBL7978483 0.71 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKEAP1SERPINE1ALDH1A1
SCHEMBL13554691 0.65 MAPT (0.71) SMN1; SMN2MAPTSERPINE1ALDH1A1MEN1
SCHEMBL3727147 0.64 MMP8 (0.58) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL2934025 0.64 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKEAP1SERPINE1ALDH1A1
SCHEMBL11445686 0.64 SMN1; SMN2 (0.47) SMN1; SMN2HTTNPC1MEN1KMT2A

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
US-6369057-B1 VIRICIDES, IN PARTICULAR AGAINST RETROVIRUSES, HUMAN IMMUNODEFICIENCY VIRUS (HIV) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed