SCHEMBL7599281

SCHEMBL7599281

Cc1ccc(S(=O)(=O)OCC(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
STAT3 P40763 2/20 0.40
P2RX7 Q99572 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP13 P45452 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
XBP1 P17861 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
DHODH Q02127 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL16213017 0.84 STAT3 (0.46) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL16213015 0.84 STAT3 (0.46) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL16213013 0.84 STAT3 (0.46) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL5173535 0.84 STAT3 (0.39) KMT2AALDH1A1MEN1STAT3P2RX7
SCHEMBL17498070 0.81 STAT3 (0.48) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL16583135 0.81 STAT3 (0.45) KMT2AALDH1A1MEN1STAT3MMP13
SCHEMBL17498067 0.81 STAT3 (0.48) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL27997551 0.81 STAT3 (0.48) KMT2AALDH1A1MEN1STAT3TDP1
SCHEMBL2545093 0.80 CA2 (0.47) KMT2AALDH1A1MEN1STAT3P2RX7
SCHEMBL2545096 0.80 CA2 (0.47) KMT2AALDH1A1MEN1STAT3P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257535-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2002-11-20 EP disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed