SCHEMBL7254476

SCHEMBL7254476

COC(=O)Cc1ccc(SSc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 3/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
KMT2A Q03164 3/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
MEN1 O00255 2/20 0.42
HSP90AB1 P08238 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL16419122 0.88 ALDH1A1 (0.57) ALDH1A1GAAGFERMAPTKMT2A
SCHEMBL16412641 0.82 ALDH1A1 (0.57) ALDH1A1GAAMAPTKMT2APOLB
SCHEMBL16412469 0.82 PDGFRB (0.57) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL31170840 0.82 ALDH1A1 (0.59) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL20045093 0.82 PDGFRB (0.53) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL286994 0.82 ALDH1A1 (0.59) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL7241087 0.82 GSTP1 (0.49) ALDH1A1GAAMAPTKMT2AGSTP1
SCHEMBL13079792 0.81 PDGFRB (0.52) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL7425083 0.81 ALDH1A1 (0.57) ALDH1A1GAAGFERMAPTPDGFRB
SCHEMBL731999 0.81 MEN1 (0.56) ALDH1A1GAAGFERMAPTPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544989-B2 Fungicidal, insecticidal, acaricidal, molluscicidal or nematicidal composition SYNGENTA LIMITED (GB) 2003-04-08 US disclosed
EP-1100798-B1 BENZAZOLE, BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LTD (GB) 2002-09-18 EP disclosed
EP-1100798-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES Zeneca Limited (GB) 2001-05-23 EP disclosed
WO-2000006566-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-02-10 WO disclosed