SCHEMBL13626258

SCHEMBL13626258

Cc1ccc(S(=O)(=O)OCC2[C@H](NC(=O)OCc3ccccc3)CCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F13A1 P00488 3/20 0.43
TGM2 P21980 3/20 0.43
TGM1 P22735 3/20 0.43
P2RX7 Q99572 6/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
CPB1 P15086 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HPN P05981 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL144612 1.00 MEN1 (0.43) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL25319376 0.94 P2RX7 (0.42) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL25324270 0.94 P2RX7 (0.42) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL26782863 0.92 P2RX7 (0.50) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL116293 0.85 LMNA (0.44) MEN1KMT2AGAAGFERCA1
SCHEMBL25318676 0.84 CA1 (0.43) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL26782871 0.84 P2RX7 (0.49) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL140115 0.82 ALDH1A1 (0.43) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL141501 0.81 ALDH1A1 (0.53) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL17329132 0.79 ALDH1A1 (0.56) MEN1KMT2AF13A1TGM2TGM1

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
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed