SCHEMBL11280752

SCHEMBL11280752

CS(=O)(=O)OC(=O)C1CCC(CNC(=N)N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 3/20 0.32
EPHX1 P07099 1/20 0.32
PRSS1 P07477 3/20 0.32
F2 P00734 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ST14 Q9Y5Y6 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F10 P00742 2/20 0.30

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
SCHEMBL8599851 0.83 TDP1 (0.48) TDP1TP53KMT2AMEN1EPHX1
SCHEMBL8599848 0.83 TDP1 (0.48) TDP1TP53KMT2AMEN1EPHX1
Hydrochloric Acid SCHEMBL30596145 0.82 TDP1 (0.47) TDP1TP53KMT2AMEN1EPHX1
SCHEMBL11280746 0.81 TDP1 (0.46) TDP1KMT2AMEN1EPHX1ALDH1A1
SCHEMBL8597654 0.79 MEN1 (0.50) TDP1KMT2AMEN1PRSS1PRSS2
SCHEMBL8597658 0.79 MEN1 (0.50) TDP1KMT2AMEN1PRSS1PRSS2
SCHEMBL8596475 0.78 TDP1 (0.43) TDP1KMT2AMEN1EPHX1PRSS1
SCHEMBL8596471 0.78 TDP1 (0.43) TDP1KMT2AMEN1EPHX1PRSS1
Hydrochloric Acid SCHEMBL8597897 0.78 MEN1 (0.49) TDP1KMT2AMEN1PRSS1PRSS2
Hydrochloric Acid SCHEMBL8596879 0.78 MEN1 (0.49) TDP1KMT2AMEN1PRSS1PRSS2

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-4348410-A Cyclohexane carboxylic acid derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1982-09-07 US disclosed