SCHEMBL10909449

SCHEMBL10909449

Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C(=O)Nc3c(O)ccc4ccc(S(=O)(=O)O)cc34)c2)cc1C(=O)Nc1c(O)ccc2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.42
PRMT1 Q99873 1/20 0.42
LMNA P02545 5/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
BRAF P15056 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SNCA P37840 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
CA2 P00918 1/20 0.37
BCL2L1 Q07817 1/20 0.37

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
SCHEMBL11346020 0.94 PRMT1 (0.50) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL10907874 0.93 NT5E (0.46) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL11341950 0.86 PRMT1 (0.55) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL10907751 0.85 NT5E (0.40) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL10909113 0.85 NT5E (0.53) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL10908189 0.83 PRMT1 (0.43) NT5EPRMT1LMNAUSP2HSD17B10
SCHEMBL10909110 0.83 CTDSP1 (0.50) NT5EPRMT1CASP6CTDSP1ALDH1A1
SCHEMBL10908524 0.83 PRMT1 (0.42) NT5EPRMT1LMNAUSP2HSD17B10
SCHEMBL10909518 0.82 NT5E (0.61) NT5EPRMT1LMNAUSP2MAPK1
SCHEMBL10908508 0.81 PRMT1 (0.57) NT5EPRMT1LMNAUSP2MAPK1

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