SCHEMBL19596297

SCHEMBL19596297

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CN3CCCC3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.50
CHRM3 P20309 2/20 0.49
MAP3K7 O43318 3/20 0.46
IRAK1 P51617 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
BRAF P15056 5/20 0.44
RAF1 P04049 2/20 0.44
GLS O94925 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ACKR3 P25106 1/20 0.42

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
SCHEMBL46748 0.95 CHRM3 (0.58) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46725 0.95 CHRM3 (0.56) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46985 0.95 SLC34A2 (0.48) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL15420709 0.94 SLC34A2 (0.47) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL5998433 0.94 SLC34A2 (0.47) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL15420846 0.94 SLC34A2 (0.48) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46746 0.93 SLC34A2 (0.47) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46663 0.93 MAP3K7 (0.47) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL46724 0.93 SLC34A2 (0.46) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL15432581 0.92 SLC34A2 (0.46) SLC34A2CHRM3MAP3K7IRAK1IRAK4

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 disclosed