SCHEMBL46632

SCHEMBL46632

O=C(Nc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 10/20 0.56
SLC34A1 Q06495 1/20 0.56
SLC34A3 Q8N130 1/20 0.56
SLC20A1 Q8WUM9 1/20 0.56
TRPV1 Q8NER1 1/20 0.46
HSPH1 Q92598 1/20 0.45
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADCYAP1R1 P41586 4/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL40258 0.91 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL40259 0.91 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL46609 0.91 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL266651 0.90 SLC34A2 (0.52) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL266650 0.90 SLC34A2 (0.52) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL273887 0.90 SLC34A2 (0.52) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL46973 0.89 SLC34A2 (0.50) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL267173 0.89 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL267174 0.89 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1
SCHEMBL273884 0.89 SLC34A2 (0.54) SLC34A2SLC34A1SLC34A3SLC20A1HSPH1

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