SCHEMBL10907905

SCHEMBL10907905

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 7/20 0.48
CD40 P25942 1/20 0.45
CD40LG P29965 1/20 0.45
CASP6 P55212 2/20 0.43
NSD2 O96028 1/20 0.43
MMP14 P50281 1/20 0.43
ENPP2 Q13822 1/20 0.42
SNCA P37840 2/20 0.42
CTRC Q99895 1/20 0.41
KMT2A Q03164 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.41
TIMP3 P35625 1/20 0.41
CTDSP1 Q9GZU7 2/20 0.40
ALOX15 P16050 1/20 0.40
PSMD14 O00487 1/20 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
SCHEMBL11339195 0.93 TIMP3 (0.48) MPLCD40CD40LGCASP6NSD2
SCHEMBL10907712 0.91 MPL (0.46) MPLCD40CD40LGCASP6ENPP2
SCHEMBL9343077 0.88 MPL (0.50) MPLCASP6NSD2MMP14CTRC
SCHEMBL10908320 0.88 KMT2A (0.45) MPLNSD2KMT2AMEN1HPGD
SCHEMBL10907955 0.86 CD40 (0.44) CD40CD40LGCASP6ENPP2KMT2A
SCHEMBL11433587 0.86 CASP6 (0.49) MPLCASP6NSD2MMP14SNCA
SCHEMBL11347286 0.84 TIMP3 (0.49) MPLCD40CD40LGCASP6KMT2A
SCHEMBL10907534 0.82 CD40 (0.50) MPLCD40CD40LGENPP2KMT2A
SCHEMBL10909346 0.82 CD40 (0.43) CD40CD40LGCASP6ENPP2KMT2A
SCHEMBL10909512 0.82 ALDH1A1 (0.40) MPLCD40CD40LGNSD2KMT2A

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