SCHEMBL19595651

SCHEMBL19595651

CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2-c2cc(C(O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
BRAF P15056 6/20 0.40
RAF1 P04049 4/20 0.40
TEK Q02763 6/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KDR P35968 4/20 0.33
KCNQ2 O43526 1/20 0.33
MET P08581 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LCK P06239 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL15444399 0.92 SLC34A2 (0.45) SLC34A2BRAFRAF1TEKHTR2A
SCHEMBL39971 0.90 SLC34A2 (0.59) SLC34A2BRAFRAF1TEKKDM4E
SCHEMBL18482710 0.90 SLC34A2 (0.51) SLC34A2BRAFRAF1KDM4ENPSR1
SCHEMBL39707 0.90 SLC34A2 (0.58) SLC34A2BRAFRAF1TEKKDM4E
SCHEMBL46664 0.88 SLC34A2 (0.49) SLC34A2BRAFRAF1TEKHTR2A
SCHEMBL39711 0.87 SLC34A2 (0.46) SLC34A2BRAFRAF1TEKKDR
SCHEMBL19596293 0.85 SLC34A2 (0.45) SLC34A2BRAFRAF1TEKHTR2A
SCHEMBL39717 0.85 SLC34A2 (0.57) SLC34A2BRAFRAF1KDM4E
SCHEMBL46952 0.84 SLC34A2 (0.44) SLC34A2BRAFRAF1TEKKDR
SCHEMBL18482331 0.84 BRAF (0.42) SLC34A2BRAFRAF1TEKKDM4E

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-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed