SCHEMBL3277045

SCHEMBL3277045

CC(C)(C)OC(=O)Nc1ccc2cc(N(P(C)(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.43
RORC P51449 9/20 0.38
MAPKAPK2 P49137 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
NAMPT P43490 1/20 0.34
MMP8 P22894 3/20 0.34
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
MMP3 P08254 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
LEF1 Q9UJU2 1/20 0.33

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
SCHEMBL3044567 0.85 KAT6A (0.42) KAT6ARORCMAPKAPK2MMP8NR2F2
SCHEMBL3277042 0.80 KAT6A (0.39) KAT6ARORCMAPKAPK2MMP8NR2F2
SCHEMBL2055339 0.80 KAT6A (0.40) KAT6ARORCMAPKAPK2NR2F2RAB9A
SCHEMBL23484531 0.73 CA12 (0.47) KAT6ARORCMAPKAPK2CA12CA1
SCHEMBL3561771 0.71 KAT6A (0.56) KAT6ARORCCA12CA1CA9
SCHEMBL20642214 0.71 KAT6A (0.56) KAT6ARORCCA12CA1CA9
SCHEMBL12115551 0.70 MEN1 (0.43) KAT6ARAB9A
SCHEMBL3762081 0.70 F7 (0.39) CA12CA1CA9RAB9A
SCHEMBL6125423 0.70 KAT6A (0.43) KAT6AMAPKAPK2CA12CA1CA9
SCHEMBL3403454 0.68 KAT6A (0.60) KAT6ACA12CA1CA9RAB9A

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