SCHEMBL19579933

SCHEMBL19579933

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.56
NAMPT P43490 1/20 0.38
BRAF P15056 4/20 0.37
RAF1 P04049 2/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM1A O60341 3/20 0.35
HDAC1 Q13547 3/20 0.35
ROCK2 O75116 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
ROS1 P08922 1/20 0.35
TP53 P04637 1/20 0.34
KDR P35968 1/20 0.34
SRPK2 P78362 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
SCHEMBL19580034 0.96 SLC34A2 (0.59) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL45535 0.94 SLC34A2 (0.64) SLC34A2BRAFRAF1ROCK2KDM4E
SCHEMBL5999719 0.93 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2KDM4E
SCHEMBL19579976 0.90 SLC34A2 (0.63) SLC34A2BRAFRAF1ROCK2KDM4E
SCHEMBL19579991 0.89 SLC34A2 (0.54) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL19579947 0.89 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2F10
SCHEMBL19580004 0.89 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2
SCHEMBL19579982 0.89 SLC34A2 (0.53) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL19579996 0.89 SLC34A2 (0.56) SLC34A2NAMPTBRAFRAF1ROCK2
SCHEMBL46554 0.88 SLC34A2 (0.59) SLC34A2BRAFRAF1ROCK2SMN1; SMN2

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 claimed