SCHEMBL45554

SCHEMBL45554

CS(=O)(=O)c1ccc(-c2cnc(NC(=O)c3cc(N4CCCCC4)ccc3[N+](=O)[O-])cn2)cc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.42
THRB P10828 4/20 0.42
SIRT6 Q8N6T7 4/20 0.41
MAPT P10636 7/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL45249 0.88 IP6K1 (0.41) MAPTGAARAB9A
SCHEMBL40233 0.86 HPGD (0.47) SIRT6MAPTHPGDCYP1A2CYP2C9
SCHEMBL1696908 0.80 SERPINE1 (0.43) SIRT6MAPTKMT2AMEN1FAAH
SCHEMBL17493124 0.75 SIRT6 (0.48) THRBSIRT6MAPTHPGDCYP1A2
SCHEMBL40377 0.74 IP6K1 (0.44) MAPTALDH1A1KMT2AMAPK1GAA
SCHEMBL1696925 0.71 HPGD (0.49) SIRT6MAPTHPGDCYP1A2CYP2C9
SCHEMBL17493077 0.71 SIRT6 (0.48) SIRT6MAPTHPGDCYP1A2CYP2C9
SCHEMBL28168960 0.70 SIRT6 (0.47) THRBSIRT6MAPTHPGDCYP1A2
SCHEMBL40388 0.70 SIRT6 (0.55) THRBSIRT6MAPTCYP1A2CYP2C19
SCHEMBL17493040 0.69 SIRT6 (0.52) THRBSIRT6MAPTHPGDCYP1A2

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed