SCHEMBL19580034

SCHEMBL19580034

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
BRAF P15056 4/20 0.39
RAF1 P04049 2/20 0.39
ROS1 P08922 1/20 0.37
KDM1A O60341 4/20 0.37
HDAC1 Q13547 4/20 0.37
TACR1 P25103 2/20 0.36
KDR P35968 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
SRPK3 Q9UPE1 1/20 0.36
TEK Q02763 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
USP2 O75604 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LCK P06239 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL19579933 0.96 SLC34A2 (0.56) SLC34A2BRAFRAF1ROS1KDM1A
SCHEMBL45535 0.96 SLC34A2 (0.64) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL5999719 0.95 SLC34A2 (0.65) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19579976 0.93 SLC34A2 (0.63) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL19580004 0.91 SLC34A2 (0.52) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579947 0.91 SLC34A2 (0.53) SLC34A2KDM1AHDAC1ROCK2ROCK1
SCHEMBL19579996 0.91 SLC34A2 (0.56) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL46554 0.90 SLC34A2 (0.59) SLC34A2BRAFRAF1KDRSRPK2
SCHEMBL19579991 0.90 SLC34A2 (0.54) SLC34A2BRAFRAF1KDM1AHDAC1
SCHEMBL46649 0.90 SLC34A2 (0.52) SLC34A2BRAFRAF1KDM1AHDAC1

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