SCHEMBL19579976

SCHEMBL19579976

O=C(O)CCCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.63
BRAF P15056 4/20 0.41
RAF1 P04049 2/20 0.41
USP2 O75604 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ROCK2 O75116 2/20 0.38
KDR P35968 1/20 0.37
SRPK2 P78362 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
SRPK3 Q9UPE1 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM3 P20309 1/20 0.37
ROCK1 Q13464 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL45535 0.97 SLC34A2 (0.64) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL5999719 0.96 SLC34A2 (0.65) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19580017 0.94 SLC34A2 (0.57) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19579956 0.93 SLC34A2 (0.57) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19580034 0.93 SLC34A2 (0.59) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19579940 0.93 SLC34A2 (0.58) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL19580025 0.93 SLC34A2 (0.75) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL15432736 0.93 SLC34A2 (0.75) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL46554 0.92 SLC34A2 (0.59) SLC34A2BRAFRAF1USP2TLR9
SCHEMBL39722 0.92 SLC34A2 (0.57) SLC34A2BRAFRAF1USP2TLR9

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