SCHEMBL45418

SCHEMBL45418

O=[N+]([O-])c1ccc(N2CCCCC2)cc1-c1cc(Nc2ccccc2C(F)(F)F)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
CYP1A2 P05177 7/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP2C19 P33261 5/20 0.43
CYP2C9 P11712 3/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 4/20 0.42
MAPK1 P28482 2/20 0.42
SIRT6 Q8N6T7 1/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL46439 0.83 ABL1 (0.47) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL40042 0.78 SERPINE1 (0.51) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL40398 0.78 MAPT (0.49) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL40475 0.77 SERPINE1 (0.45) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL39725 0.74 HPGD (0.52) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL46429 0.73 CYP1A2 (0.53) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL40054 0.73 MAPT (0.43) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL46749 0.72 SERPINE1 (0.41) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL12478451 0.71 SIRT6 (0.75) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9
SCHEMBL28137192 0.71 SIRT6 (0.75) MAPTCYP1A2ALDH1A1CYP2C19CYP2C9

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