SCHEMBL4976624

SCHEMBL4976624

Cc1cc(Cl)ccc1N(C)C(=O)c1ccc(Sc2ccc(NC(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
BCL2L1 Q07817 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 5/20 0.48
PDE7A Q13946 4/20 0.47
PDE7B Q9NP56 3/20 0.47
PLA2G4A P47712 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL4986213 0.89 ALDH1A1 (0.55) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL1456217 0.87 ALDH1A1 (0.47) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL4976907 0.85 MAPT (0.51) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL4976616 0.81 MEN1 (0.53) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL1454126 0.78 MAPT (0.47) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL4975574 0.73 MAPT (0.44) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL4986203 0.73 MEN1 (0.53) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL20474732 0.73 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL1923978 0.73 BCL2L1 (0.74) ALDH1A1LMNABCL2L1POLBMAPT
SCHEMBL1454864 0.72 MAPT (0.46) ALDH1A1LMNAMAPTKMT2AMEN1

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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed