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SCHEMBL47722

SCHEMBL47722

CNC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N(C)CCN3CCC[C@H]3C(=O)NCCOCCOCCOCCC(=O)O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC34A2 O95436 2/20 0.39
▸ TP53BP1 Q12888 2/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ SMYD2 Q9NRG4 1/20 0.31
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30
▸ PRMT8 Q9NR22 1/20 0.30
▸ GID4 Q8IVV7 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL18482731 0.95 SLC34A2 (0.39) SLC34A2TP53BP1EPHX2SMYD2GID4
SCHEMBL15432831 0.90 CTSS (0.37) SLC34A2ALDH1A1
SCHEMBL6001174 0.90 CTSS (0.37) SLC34A2ALDH1A1
SCHEMBL10274107 0.90 SLC34A2 (0.34) SLC34A2TP53BP1EPHX2SMYD2CARM1
SCHEMBL10274775 0.88 SLC34A2 (0.34) SLC34A2TP53BP1EPHX2
SCHEMBL18482346 0.87 SLC34A2 (0.38) SLC34A2TP53BP1EPHX2
SCHEMBL15420938 0.85 TAOK1 (0.37) ALDH1A1
SCHEMBL15432832 0.85 TAOK1 (0.37) ALDH1A1
SCHEMBL15432827 0.84 TAOK1 (0.34) SLC34A2ALDH1A1
SCHEMBL15444471 0.84 TAOK1 (0.34) SLC34A2ALDH1A1

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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — WO disclosed