SCHEMBL19579956

SCHEMBL19579956

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSCCCCO)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.57
BRAF P15056 4/20 0.41
RAF1 P04049 2/20 0.41
GPR52 Q9Y2T5 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HRH4 Q9H3N8 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
USP2 O75604 1/20 0.37
TLR9 Q9NR96 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
SCHEMBL19580017 0.98 SLC34A2 (0.57) SLC34A2BRAFRAF1GPR52KDM4E
SCHEMBL19579940 0.95 SLC34A2 (0.58) SLC34A2BRAFRAF1KDM4EHRH4
SCHEMBL19579976 0.93 SLC34A2 (0.63) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL46483 0.92 SLC34A2 (0.55) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL45535 0.91 SLC34A2 (0.64) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL5999719 0.91 SLC34A2 (0.65) SLC34A2BRAFRAF1KDM4EHRH4
SCHEMBL39722 0.91 SLC34A2 (0.57) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL19579953 0.90 SLC34A2 (0.56) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL19580040 0.90 SLC34A2 (0.55) SLC34A2BRAFRAF1KDM4EROCK2
SCHEMBL6002472 0.89 SLC34A2 (0.55) SLC34A2BRAFRAF1KDM4EHRH4

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