SCHEMBL2099333

SCHEMBL2099333

C#Cc1ccc2ccccc2c1N(C(CC)(CC)P(=O)(O)O)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.33
ITGA4 P13612 1/20 0.31

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
SCHEMBL3060485 0.91 SLC22A12 (0.33) ACP3ITGA4
SCHEMBL2099271 0.88 PTPN1 (0.38) ITGA4
SCHEMBL2098823 0.87 ITGA4 (0.31) ITGA4
SCHEMBL2098604 0.87 ACP3 (0.33) ACP3ITGA4
SCHEMBL2098705 0.86 CYP1A2 (0.33) ACP3ITGA4
SCHEMBL2098828 0.85 ACP3 (0.32) ACP3ITGA4
SCHEMBL2098368 0.84 PDE4D (0.36)
SCHEMBL3060213 0.83 ITGA4 (0.32) ACP3ITGA4
SCHEMBL2098099 0.82 ITGA4 (0.33) ACP3ITGA4
SCHEMBL2098758 0.81 C5AR1 (0.35) ACP3ITGA4

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-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed