SCHEMBL19579991

SCHEMBL19579991

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cc(C(F)(F)F)ccc3F)ccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.54
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
BRAF P15056 3/20 0.38
RAF1 P04049 2/20 0.38
KDR P35968 2/20 0.37
SRPK2 P78362 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
SRPK3 Q9UPE1 1/20 0.37
TEK Q02763 3/20 0.37
LCK P06239 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM1A O60341 2/20 0.35
HDAC1 Q13547 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL45535 0.92 SLC34A2 (0.64) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL5999719 0.91 SLC34A2 (0.65) SLC34A2BRAFRAF1LMNATRPV1
SCHEMBL19580034 0.90 SLC34A2 (0.59) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL19579982 0.89 SLC34A2 (0.53) SLC34A2BRAFRAF1LMNAKDM1A
SCHEMBL19579969 0.89 SLC34A2 (0.52) SLC34A2CRHBPCRHR2BRAFRAF1
SCHEMBL19579933 0.89 SLC34A2 (0.56) SLC34A2CRHBPCRHR2BRAFRAF1
SCHEMBL19579976 0.89 SLC34A2 (0.63) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL39856 0.88 SLC34A2 (0.54) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL19579996 0.88 SLC34A2 (0.56) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL6000093 0.88 SLC34A2 (0.54) SLC34A2BRAFRAF1KDRLMNA

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