SCHEMBL1754853

SCHEMBL1754853

CN(C)c1ncnc2c(N(CCP(=O)(O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACLY P53396 1/20 0.33
HTR6 P50406 1/20 0.32
S1PR1 P21453 1/20 0.32
ENPP1 P22413 1/20 0.32
EDNRA P25101 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 2/20 0.31
RPS6KB1 P23443 1/20 0.31
FFAR2 O15552 1/20 0.30
GAA P10253 1/20 0.30
PTGER1 P34995 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
SCHEMBL2055512 0.90 MEN1 (0.36) MEN1KMT2ARXFP1ACLYHTR6
SCHEMBL1754854 0.82 MEN1 (0.33) MEN1KMT2ARXFP1ACLYEDNRA
SCHEMBL2055405 0.81 MEN1 (0.35) MEN1KMT2ARXFP1ACLYS1PR1
SCHEMBL3277703 0.80 MEN1 (0.35) MEN1KMT2AACLYS1PR1POLB
SCHEMBL2097960 0.80 MEN1 (0.34) MEN1KMT2ARXFP1ACLYEDNRA
SCHEMBL3278248 0.78 MEN1 (0.46) MEN1KMT2AS1PR1POLBGAA
SCHEMBL1754866 0.77 HTT (0.39) MEN1KMT2AACLYS1PR1EDNRA
SCHEMBL1754851 0.77 MEN1 (0.39) MEN1KMT2AHTR6S1PR1POLB
SCHEMBL13905724 0.72 ENPP1 (0.32) ENPP1RPS6KB1
SCHEMBL3281102 0.71 KDM4E (0.39) MEN1KMT2AACLYS1PR1PSEN1

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 claimed
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 claimed