SCHEMBL7653054

SCHEMBL7653054

CCOC(=O)C(C(=O)OCC)c1cnc(SC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
SYK P43405 1/20 0.40
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL7653048 0.78 KMT2A (0.41) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL30912635 0.77 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL243831 0.76 MEN1 (0.51) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL16286568 0.75 MMP8 (0.44) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL30441395 0.75 MMP8 (0.44) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL23094461 0.73 SMN1; SMN2 (0.45) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL13900593 0.73 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL17389437 0.72 CPB2 (0.49) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL271585 0.72 MMP8 (0.59) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL4805423 0.71 OXTR (0.46) KMT2AMEN1ALDH1A1POLBMAPT

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-6482947-B1 Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-19 US claimed