SCHEMBL40475

SCHEMBL40475

O=[N+]([O-])c1ccc(N2CCCCC2)cc1-c1cc(NCCc2cccc(C(F)(F)F)c2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.45
MAPT P10636 8/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MET P08581 1/20 0.42
HTR6 P50406 2/20 0.41
MAPK1 P28482 1/20 0.41
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL40042 0.92 SERPINE1 (0.51) SERPINE1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2719825 0.85 MAP4K4 (0.43) MAPTCYP1A2CYP3A4CYP2C19MET
SCHEMBL46439 0.85 ABL1 (0.47) SERPINE1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL46749 0.84 SERPINE1 (0.41) SERPINE1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL40398 0.83 MAPT (0.49) SERPINE1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL46764 0.81 MET (0.46) SERPINE1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL40152 0.81 SERPINE1 (0.50) SERPINE1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL46429 0.79 CYP1A2 (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL40054 0.78 MAPT (0.43) SERPINE1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL45418 0.77 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed