SCHEMBL3277703

SCHEMBL3277703

O=P(O)(O)CCN(c1cccc2cncnc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ACLY P53396 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR1 P03372 2/20 0.30
ITGA4 P13612 1/20 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
SCHEMBL1754210 0.90 MEN1 (0.35) MEN1POLBKMT2AS1PR1HTT
SCHEMBL3278248 0.87 MEN1 (0.46) MEN1POLBKMT2AS1PR1HTT
SCHEMBL3277708 0.80 ACLY (0.32) ACLYITGA4
SCHEMBL2055406 0.80 MEN1 (0.33) MEN1POLBKMT2AS1PR1SMN1; SMN2
SCHEMBL1754853 0.80 MEN1 (0.35) MEN1POLBKMT2AS1PR1HTT
SCHEMBL3277898 0.77 S1PR1 (0.40) MEN1KMT2AS1PR1
SCHEMBL1753931 0.76 MEN1 (0.45) MEN1POLBKMT2AS1PR1HTT
SCHEMBL1754851 0.76 MEN1 (0.39) MEN1POLBKMT2AS1PR1HTT
SCHEMBL3281102 0.73 KDM4E (0.39) MEN1KMT2AS1PR1HTTNPSR1
SCHEMBL1754892 0.72 MMP2 (0.39) MEN1POLBKMT2AS1PR1HTT

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-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO disclosed