SCHEMBL7573899

SCHEMBL7573899

[O]CC(O)CN1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
RAB9A P51151 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17162628 0.89 KMT2A (0.52) KMT2AMEN1ATMMAPTUSP2
SCHEMBL7573905 0.83 MAPT (0.59) KMT2AMEN1ATMMAPTUSP2
SCHEMBL14378535 0.82 SLC18A3 (0.42) KMT2AMEN1ATMMAPTUSP2
SCHEMBL4500454 0.82 KDM4E (0.42) KMT2AMEN1ATMMAPTUSP2
SCHEMBL4560035 0.82 KDM4E (0.42) KMT2AMEN1ATMMAPTUSP2
SCHEMBL13712017 0.82 KMT2A (0.40) KMT2AMEN1ATMMAPTUSP2
SCHEMBL4558887 0.82 KMT2A (0.40) KMT2AMEN1ATMMAPTUSP2
SCHEMBL7571912 0.78
SCHEMBL4382056 0.78 MEN1 (0.68) KMT2AMEN1ATMMAPTUSP2
SCHEMBL10476 0.78 MEN1 (0.68) KMT2AMEN1ATMMAPTUSP2

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
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed