SCHEMBL10907712

SCHEMBL10907712

O=C(Nc1ccc(C(=O)Nc2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1)C(=O)Nc1ccc(C(=O)Nc2c(S(=O)(=O)O)cc(O)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.46
CTDSP1 Q9GZU7 2/20 0.44
CASP6 P55212 1/20 0.44
CD40 P25942 1/20 0.43
CD40LG P29965 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.42
TIMP3 P35625 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL11347286 0.92 TIMP3 (0.49) MPLCTDSP1CASP6CD40CD40LG
SCHEMBL10907905 0.91 MPL (0.48) MPLCTDSP1CASP6CD40CD40LG
SCHEMBL10908295 0.89 KMT2A (0.45) MPLKMT2AMEN1HPGDTIMP3
SCHEMBL11435352 0.87 CASP6 (0.55) MPLCTDSP1CASP6KMT2AMEN1
SCHEMBL10909346 0.86 CD40 (0.43) CTDSP1CASP6CD40CD40LGKMT2A
SCHEMBL10907652 0.85 PRMT1 (0.42) CTDSP1CASP6CD40CD40LGKMT2A
SCHEMBL11339195 0.84 TIMP3 (0.48) MPLCTDSP1CASP6CD40CD40LG
SCHEMBL10909175 0.83 HPSE (0.41) MPLCD40CD40LGKMT2AMEN1
SCHEMBL11422974 0.83 CD40 (0.58) CD40CD40LGKMT2AMEN1MAPT
SCHEMBL10908400 0.82 DEGS1 (0.42) CTDSP1CASP6CD40CD40LGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 US disclosed