SCHEMBL2733401

SCHEMBL2733401

O=C(CCc1ccccc1)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.46
NPSR1 Q6W5P4 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 10/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
ABCB1 P08183 2/20 0.41
HPGD P15428 1/20 0.41
HTR6 P50406 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL2733833 0.85 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL40548 0.84 KDM5A (0.49) MAPTNPSR1CYP1A2CYP2C19CYP2C9
SCHEMBL6000696 0.79 MAPT (0.44) MAPTNPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL39747 0.79 SIRT6 (0.49) MAPTNPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL39927 0.76 HPGD (0.49) MAPTNPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL39772 0.76 SERPINE1 (0.47) MAPTALDH1A1MAPK1HTTTDP1
SCHEMBL46697 0.76 HPGD (0.60) MAPTNPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL39825 0.75 HPGD (0.52) MAPTNPSR1CYP1A2CYP2C19CYP3A4
SCHEMBL40086 0.75 SERPINE1 (0.47) MAPTCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL15432542 0.74 MAPT (0.43) MAPTNPSR1CYP1A2CYP2C19CYP3A4

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-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