SCHEMBL18059163

SCHEMBL18059163

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(CCc3cccc(C(F)(F)F)c3)c(Cl)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC34A2 O95436 1/20 0.46
▸ RAF1 P04049 4/20 0.37
▸ BRAF P15056 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSPH1 Q92598 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LCK P06239 2/20 0.36
▸ TEK Q02763 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34

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
SCHEMBL46481 0.89 SLC34A2 (0.52) SLC34A2BRAFMAPTNPSR1HSP90AA1
SCHEMBL46478 0.86 SLC34A2 (0.50) SLC34A2RAF1BRAFMAPTNPSR1
SCHEMBL19579996 0.86 SLC34A2 (0.56) SLC34A2RAF1BRAFMAPTNPSR1
SCHEMBL46763 0.86 SLC34A2 (0.55) SLC34A2RAF1BRAFMAPTNPSR1
SCHEMBL46430 0.85 SLC34A2 (0.47) SLC34A2RAF1BRAFMAPTNPSR1
SCHEMBL39856 0.85 SLC34A2 (0.54) SLC34A2RAF1BRAFMAPTALDH1A1
SCHEMBL6002055 0.85 SLC34A2 (0.51) SLC34A2RAF1BRAFMAPTNPSR1
SCHEMBL10274259 0.85 SLC34A2 (0.51) SLC34A2RAF1BRAFLCKKDR
SCHEMBL45535 0.84 SLC34A2 (0.64) SLC34A2RAF1BRAFKDM4ELMNA
SCHEMBL46486 0.84 SLC34A2 (0.53) SLC34A2RAF1BRAFMAPTNPSR1

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 — — EP disclosed
Send feedback