SCHEMBL19596293

SCHEMBL19596293

CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C3OC3c3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.45
RAF1 P04049 5/20 0.41
BRAF P15056 5/20 0.41
TEK Q02763 6/20 0.38
IGF1R P08069 1/20 0.35
KDR P35968 5/20 0.35
CSF1R P07333 1/20 0.35
DAPK1 P53355 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LCK P06239 1/20 0.35
SRPK2 P78362 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
SRPK3 Q9UPE1 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL19596294 0.91 SLC34A2 (0.49) SLC34A2RAF1BRAFTEKIGF1R
SCHEMBL46664 0.90 SLC34A2 (0.49) SLC34A2RAF1BRAFTEKKDR
SCHEMBL39707 0.88 SLC34A2 (0.58) SLC34A2RAF1BRAFTEKKDR
SCHEMBL15444399 0.87 SLC34A2 (0.45) SLC34A2RAF1BRAFTEKIGF1R
SCHEMBL39971 0.87 SLC34A2 (0.59) SLC34A2RAF1BRAFTEKNPSR1
SCHEMBL40138 0.85 SLC34A2 (0.42) SLC34A2RAF1BRAFTEKALDH1A1
SCHEMBL19595651 0.85 SLC34A2 (0.48) SLC34A2RAF1BRAFTEKKDR
SCHEMBL40144 0.85 BRAF (0.50) SLC34A2RAF1BRAFTEKKDR
SCHEMBL46952 0.85 SLC34A2 (0.44) SLC34A2RAF1BRAFTEKKDR
SCHEMBL39711 0.85 SLC34A2 (0.46) SLC34A2RAF1BRAFTEKKDR

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