SCHEMBL19595688

SCHEMBL19595688

COCC1CCCN1c1ccc(NC(=O)c2cccc(C(=O)NCCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.45
EPHX2 P34913 2/20 0.43
BRAF P15056 6/20 0.42
RAF1 P04049 3/20 0.40
LCK P06239 3/20 0.40
MAPK14 Q16539 3/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCD O00767 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDR P35968 1/20 0.39
MAPK1 P28482 1/20 0.38
SRC P12931 1/20 0.38
SYK P43405 1/20 0.38
GSK3A P49840 1/20 0.38

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
SCHEMBL15432664 0.92 SLC34A2 (0.45) SLC34A2BRAFRAF1LCKMAPK14
SCHEMBL19579945 0.92 SLC34A2 (0.45) SLC34A2BRAFRAF1LCKMAPK14
SCHEMBL6002189 0.92 SLC34A2 (0.44) SLC34A2BRAFRAF1LCKMAPK14
SCHEMBL6002088 0.92 SLC34A2 (0.44) SLC34A2BRAFRAF1LCKMAPK14
SCHEMBL15432672 0.92 SLC34A2 (0.45) SLC34A2BRAFRAF1LCKMAPK14
SCHEMBL19595974 0.86 BRAF (0.49) SLC34A2EPHX2BRAFRAF1LCK
SCHEMBL5998993 0.86 BRAF (0.48) SLC34A2EPHX2BRAFRAF1LCK
SCHEMBL16808358 0.85 ROCK2 (0.37) SLC34A2CYP2C9CYP2C19SYKGSK3A
SCHEMBL16365755 0.85 ROCK2 (0.37) SLC34A2CYP2C9CYP2C19SYKGSK3A
SCHEMBL19596320 0.84 BRAF (0.48) SLC34A2EPHX2BRAFRAF1LCK

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