SCHEMBL4986213

SCHEMBL4986213

Cc1cc(Br)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 5/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 1/20 0.45
HTT P42858 3/20 0.44
PDE7A Q13946 1/20 0.42
POLB P06746 1/20 0.40
BCL2L1 Q07817 1/20 0.40
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4976624 0.89 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL1454126 0.86 MAPT (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4975574 0.85 MAPT (0.44) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4986203 0.81 MEN1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL1456217 0.77 ALDH1A1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2961835 0.75 MAPT (0.52) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4976616 0.73 MEN1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL4976907 0.73 MAPT (0.51) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL1455459 0.73 MAPT (0.60) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL1455627 0.72 MAPT (0.59) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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