SCHEMBL6965375

SCHEMBL6965375

[CH2]OP(=S)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 7/20 0.36
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 5/20 0.33
CYP3A4 P08684 4/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
ACHE P22303 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
SCHEMBL3826872 0.81 TDP1 (0.56) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL5573827 0.77 TDP1 (0.43) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL35637 0.75 TDP1 (0.46) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL8191946 0.75 TDP1 (0.46) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL6965382 0.73 TDP1 (0.44) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL10606468 0.73 TDP1 (0.44) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL1668626 0.73 TDP1 (0.44) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL21060526 0.73 TDP1 (0.44) TDP1MEN1KMT2ATSHRALDH1A1
Sulfotep SCHEMBL22721240 0.73 TSHR (0.45) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL10790063 0.73

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed