SCHEMBL46849

SCHEMBL46849

NC(=O)c1ccnc(-c2cc(OC3CCCC3)ccc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.49
▸ OPRK1 P41145 9/20 0.42
▸ KCNH2 Q12809 6/20 0.42
▸ OPRM1 P35372 5/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.42
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ KDM4C Q9H3R0 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ ABL1 P00519 1/20 0.38

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
SCHEMBL2732059 0.77 KMT2A (0.52) —
SCHEMBL2732063 0.77 KMT2A (0.52) —
SCHEMBL44987 0.75 KMT2A (0.52) —
SCHEMBL40168 0.75 KMT2A (0.52) —
SCHEMBL17865584 0.74 OPRK1 (0.67) PARP10OPRK1KCNH2OPRM1
SCHEMBL39907 0.74 MAPK1 (0.49) —
SCHEMBL18422026 0.73 LOX (0.57) PARP10OPRK1KCNH2OPRM1JMJD6
SCHEMBL39814 0.73 KDM4B (0.50) KDM4BKDM5CKDM5BMAP4K4KDM4C
SCHEMBL25003802 0.71 FDPS (0.48) PARP10JMJD6MAP4K4
SCHEMBL3028371 0.70 PARP10 (0.93) PARP10OPRK1KCNH2MAP4K4PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 — — WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 — — WO disclosed
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