SCHEMBL5277259

SCHEMBL5277259

CCC(CC)(c1ccc(NC(=O)CN)cc1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
TERT O14746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
LTA4H P09960 1/20 0.40
HDAC1 Q13547 1/20 0.40
POLB P06746 2/20 0.40
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
ENPP2 Q13822 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5280576 0.89 TERT (0.43) CA1CA2TERTHDAC1MEN1
SCHEMBL5273386 0.86 ENPP2 (0.46) CA1CA2LTA4HHDAC1MEN1
SCHEMBL7870277 0.79 PGK1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL19240371 0.76 KIF11 (0.59) CA1CA2POLBMEN1KMT2A
SCHEMBL2030830 0.74 FDPS (0.47) TP53MAPTMAPK1KDM4EALDH1A1
SCHEMBL5859053 0.73 PTPN5 (0.46)
SCHEMBL6421418 0.73 EPHX2 (0.45) CA1CA2POLBMEN1KMT2A
SCHEMBL13356394 0.73 EPHX2 (0.63) CA1CA2POLBMEN1KMT2A
SCHEMBL8470305 0.72 PGK1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL2382743 0.72 TSHR (0.43) CA1HDAC1CA12MAPTALDH1A1

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
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP disclosed