SCHEMBL9558530

SCHEMBL9558530

CCC(C(=O)O)C(NC(=O)C1CCC1C(=O)Nc1ccc(C=NN)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GFER P55789 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ELOVL6 Q9H5J4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
NOX1 Q9Y5S8 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
SCHEMBL9559156 0.97 MAPT (0.37) MAPTGAARAB9ANPC1MEN1
SCHEMBL9559016 0.96 GAA (0.42) MAPTGAARAB9ASMN1; SMN2LMNA
SCHEMBL9559013 0.96 GAA (0.44) MAPTGAARAB9ASMN1; SMN2LMNA
SCHEMBL7353190 0.83 POLB (0.42) MAPTGAARAB9AMEN1KMT2A
SCHEMBL9558990 0.81 ITGB3 (0.43) MAPTGAARAB9ANPC1MEN1
SCHEMBL9558512 0.80 LMNA (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7420630 0.79 KMT2A (0.39) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL9559006 0.77 KCNQ3 (0.44) MAPTGAARAB9ASMN1; SMN2LMNA
SCHEMBL9559008 0.77 KCNQ3 (0.42) MAPTGAARAB9ASMN1; SMN2LMNA
SCHEMBL9558887 0.77 ITGB3 (0.43) MAPTRAB9ANPC1MEN1KMT2A

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed