SCHEMBL1754865

SCHEMBL1754865

CC(N(c1cccc2ccccc12)S(=O)(=O)c1cc(Br)cc(Br)c1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR6 P50406 4/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
STAT3 P40763 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL3281740 0.92 PSEN1 (0.35) HTR2CHTR6TUBB4ATUBBTUBA3C
SCHEMBL2055478 0.79 KDM4E (0.44) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL1754864 0.77 KDM4E (0.42) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL2055491 0.74 KDM4E (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL2101974 0.74 KDM4E (0.33) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL1110227 0.74 KEAP1 (0.36) MMP2ALDH1A1KDM4EPSEN1PSEN2
SCHEMBL2055489 0.72 KDM4E (0.40) MMP9ACP3ALDH1A1MEN1PER2
SCHEMBL2055371 0.72 KDM4E (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL1754867 0.71 ALDH1A1 (0.37) CA2ALDH1A1MEN1MAPTHTT
SCHEMBL3281102 0.70 KDM4E (0.39) ACP3ALDH1A1MEN1PER2MAPT

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 4 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
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