SCHEMBL4707544

SCHEMBL4707544

Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.48
PDE7B Q9NP56 1/20 0.48
MAPT P10636 7/20 0.47
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.39
NTSR1 P30989 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8737040 0.75 L3MBTL1 (0.42) MAPTALDH1A1TDP1TSHRHPGD
SCHEMBL8866097 0.74 PDE7A (0.68) PDE7APDE7BMAPTALDH1A1TDP1
SCHEMBL11557505 0.74 PDE7A (0.63) PDE7APDE7BMAPTALDH1A1TDP1
SCHEMBL9709555 0.73 PDE7A (0.58) PDE7APDE7BMAPTGSTP1GSTM2
SCHEMBL7580144 0.73 MAPT (0.50) PDE7APDE7BMAPTGSTP1GSTM2
SCHEMBL3192684 0.72 ALDH1A1 (0.62) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL6569987 0.72 MAPT (0.55) PDE7APDE7BMAPTGSTP1GSTM2
SCHEMBL27706319 0.71 HPRT1 (0.53) ALDH1A1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL810289 0.71 PDE7A (0.68) PDE7APDE7BMAPTGSTP1GSTM2
SCHEMBL1369423 0.69 CES2 (0.53) PDE7APDE7BMAPTALDH1A1TDP1

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-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed