SCHEMBL39827

SCHEMBL39827

CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(NCCc3cccc(C(F)(F)F)c3)ncn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.43
BRAF P15056 6/20 0.38
RAF1 P04049 5/20 0.38
TEK Q02763 4/20 0.37
KDR P35968 2/20 0.37
LCK P06239 2/20 0.36
INSR P06213 1/20 0.34
LYN P07948 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
HSP90AA1 P07900 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL39711 0.94 SLC34A2 (0.46) SLC34A2BRAFRAF1TEKKDR
SCHEMBL46430 0.91 SLC34A2 (0.47) SLC34A2BRAFRAF1TEKKDR
SCHEMBL46772 0.90 SLC34A2 (0.41) SLC34A2BRAFRAF1TEKKDR
SCHEMBL46952 0.89 SLC34A2 (0.44) SLC34A2BRAFRAF1TEKKDR
SCHEMBL46664 0.86 SLC34A2 (0.49) SLC34A2BRAFRAF1TEKKDR
SCHEMBL39707 0.86 SLC34A2 (0.58) SLC34A2BRAFRAF1TEKKDR
SCHEMBL39960 0.86 CYP1A2 (0.40) SLC34A2SRCMAPTALDH1A1KDM4E
SCHEMBL39971 0.85 SLC34A2 (0.59) SLC34A2BRAFRAF1TEKNPSR1
SCHEMBL46629 0.85 SLC34A2 (0.51) SLC34A2BRAFRAF1TEKLCK
SCHEMBL15444399 0.84 SLC34A2 (0.45) SLC34A2BRAFRAF1TEKKDR

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 4 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
EP-2591354-A1 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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed