SCHEMBL47082

SCHEMBL47082

CC(C)n1ccc(NC(=O)c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSc3ccc(C(=O)O)cc3)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
RPS6KA2 Q15349 1/20 0.39
SERPINE1 P05121 2/20 0.38
LRRK2 Q5S007 2/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GCK P35557 1/20 0.36
KCNH2 Q12809 1/20 0.36
GALR3 O60755 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
SLC34A2 O95436 1/20 0.35

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
SCHEMBL10225110 0.84 SERPINE1 (0.39) F10SERPINE1MAPTKDM4EMEN1
SCHEMBL46889 0.78 F10 (0.37) F10SERPINE1LRRK2MAPTKDM4E
SCHEMBL46917 0.74 LRRK2 (0.48) F10LRRK2MAPTKMT2AKCNH2
SCHEMBL45411 0.74 PPARG (0.38) F10LRRK2MAPTKDM4EMEN1
SCHEMBL46569 0.73 F10 (0.37) F10SERPINE1LRRK2MAPTKDM4E
SCHEMBL46914 0.70 LRRK2 (0.43) F10LRRK2CYP3A4
SCHEMBL46822 0.70 MAPT (0.40) F10SERPINE1MAPTKDM4EMEN1
SCHEMBL19013330 0.70 F10 (0.48) F10KCNH2
SCHEMBL19013492 0.70 NPC1 (0.45) F10SERPINE1MAPTMEN1KMT2A
SCHEMBL16804934 0.69 F10 (0.38) F10SERPINE1LRRK2MAPTKDM4E

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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed