SCHEMBL19595685

SCHEMBL19595685

NC(=O)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CSCCC(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
HDAC1 Q13547 1/20 0.39
AURKA O14965 6/20 0.37
RPS6KB1 P23443 5/20 0.37
AURKB Q96GD4 5/20 0.37
PDPK1 O15530 1/20 0.37
PARP1 P09874 1/20 0.36
LRRK2 Q5S007 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KIF18A Q8NI77 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 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
SCHEMBL19579983 0.92 SLC34A2 (0.46) SLC34A2SIRT2SIRT1SIRT3PARP1
SCHEMBL19579947 0.90 SLC34A2 (0.53) SLC34A2HDAC1AURKARPS6KB1AURKB
SCHEMBL19580004 0.90 SLC34A2 (0.52) SLC34A2HDAC1PARP1
SCHEMBL39824 0.90 SLC34A2 (0.44) SLC34A2HDAC1PARP1LRRK2NPC1
SCHEMBL46435 0.90 SLC34A2 (0.47) SLC34A2HDAC1TP53MAPT
SCHEMBL19579995 0.89 SLC34A2 (0.43) SLC34A2HDAC1PARP1LRRK2NPC1
SCHEMBL19579965 0.89 SLC34A2 (0.47) SLC34A2HDAC1PARP1LRRK2NPC1
SCHEMBL15444403 0.89 SLC34A2 (0.45) SLC34A2SIRT2SIRT1SIRT3AURKA
SCHEMBL19579993 0.89 SLC34A2 (0.48) SLC34A2HDAC1
SCHEMBL19579984 0.88 SLC34A2 (0.46) SLC34A2HDAC1IRAK4MEN1KMT2A

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