SCHEMBL6000465

SCHEMBL6000465

CN(CC=O)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(N)=O)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
SIRT3 Q9NTG7 2/20 0.37
AURKA O14965 3/20 0.36
RPS6KB1 P23443 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KIF18A Q8NI77 1/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
QSOX1 O00391 1/20 0.35
PKM P14618 1/20 0.35
AURKB Q96GD4 2/20 0.35
SMYD2 Q9NRG4 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
SCHEMBL18482990 0.86 NPC1 (0.37) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL19596094 0.85 DRD4 (0.38) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL40129 0.85 ALDH1A1 (0.48) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL19596026 0.84 HDAC1 (0.43) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL18482261 0.84 DRD4 (0.37) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL46886 0.84 TAOK1 (0.44) MEN1KMT2AAURKAALDH1A1LMNA
SCHEMBL40061 0.84 TAOK1 (0.44) MEN1KMT2AAURKAALDH1A1LMNA
SCHEMBL19595742 0.83 DRD4 (0.37) HDAC1IRAK4MAPTSMYD2
SCHEMBL19596012 0.83 HTR2A (0.36) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL18482740 0.81 DRD4 (0.36) HDAC1NPC1RAB9AMEN1KMT2A

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-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed