SCHEMBL11302014

SCHEMBL11302014

CCCN(CCC)S(=O)(=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.55
CA12 O43570 13/20 0.55
CA1 P00915 10/20 0.55
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CA2 P00918 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ABCC2 Q92887 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
UGT1A7 Q9HAW7 1/20 0.50
SLC22A11 Q9NSA0 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL11304655 0.97 CA12 (0.52) CA9CA12CA1MAPTPOLB
SCHEMBL11304349 0.96 CA12 (0.50) CA9CA12CA1MAPTPOLB
SCHEMBL11313919 0.95 MAPT (0.51) CA9CA12CA1MAPTPOLB
SCHEMBL11308308 0.91 ALDH1A1 (0.54) MAPTGAANPSR1SMN1; SMN2RAB9A
SCHEMBL11306073 0.91 ALDH1A1 (0.48) CA9CA12CA1MAPTPOLB
SCHEMBL11312223 0.90 MAPK1 (0.50) CA9CA12CA1MAPTPOLB
SCHEMBL11311312 0.89 KMT2A (0.43) CA9CA12CA1MAPTPOLB
SCHEMBL11304549 0.86 MAPK1 (0.48) CA9CA12CA1MAPTPOLB
SCHEMBL11305611 0.86 MAPK1 (0.52) CA9CA12CA1MAPTCA2
SCHEMBL11308024 0.85 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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-4283418-A ANTIPLASMIN AND ANTITRYPSIN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1981-08-11 US disclosed