SCHEMBL15345874

SCHEMBL15345874

CC[n+]1ccc(C(CCCP(c2ccccc2)c2ccccc2)S(=O)(=O)[O-])cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
FDFT1 P37268 2/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL15345877 0.91 PABPC1 (0.34) FDFT1PABPC1EIF4HCTDSP1
SCHEMBL1114157 0.74 PABPC1 (0.42) PABPC1EIF4HCTDSP1
SCHEMBL15345891 0.70
SCHEMBL8025010 0.70 POLB (0.42) FDFT1
SCHEMBL4004094 0.67 NR1I2 (0.47)
SCHEMBL8014431 0.67 NR1I2 (0.47)
Potassium Ion SCHEMBL10982840 0.67 NR1I2 (0.47) FDFT1
SCHEMBL8030244 0.67 NR1I2 (0.47)
SCHEMBL8024763 0.67 NR1I2 (0.47)
SCHEMBL11518709 0.67 NR1I2 (0.50)

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
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed