SCHEMBL5506429

SCHEMBL5506429

Nc1sc([AsH]C(=O)OCC2c3ccccc3-c3ccccc32)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
KMT2A Q03164 2/20 0.40
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
NTRK1 P04629 1/20 0.34
CASP3 P42574 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL543987 0.78 ALDH1A1 (0.51) FABP5FABP7KMT2AMDM4TP53
SCHEMBL10167010 0.69 EPHX2 (0.47) FABP5FABP7KMT2AMDM4TP53
SCHEMBL29381061 0.67 FABP5 (0.59) FABP5FABP7KMT2AMDM4TP53
SCHEMBL29901230 0.67 FABP5 (0.59) FABP5FABP7KMT2AMDM4TP53
SCHEMBL44677 0.67 FABP5 (0.59) FABP5FABP7KMT2AMDM4TP53
SCHEMBL30179376 0.66 MDM4 (0.46) FABP5FABP7KMT2AMDM4TP53
SCHEMBL1157518 0.66 ALDH1A1 (0.45) FABP5FABP7KMT2AMDM4TP53
SCHEMBL29362617 0.65 KMT2A (0.59) FABP5FABP7KMT2AHSD17B10EPHX2
SCHEMBL113270 0.65 KMT2A (0.59) FABP5FABP7KMT2AHSD17B10EPHX2
SCHEMBL30042128 0.65 KMT2A (0.59) FABP5FABP7KMT2AHSD17B10EPHX2

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-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed