SCHEMBL46915

SCHEMBL46915

NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cccc(C(=O)NCCOCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
SERPINE1 P05121 2/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
QSOX1 O00391 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
SLC34A2 O95436 1/20 0.39

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
SCHEMBL46593 0.80 F10 (0.42) NPC1RAB9AMEN1KMT2ASLC34A2
SCHEMBL15420997 0.80 SLC34A2 (0.42) MAPTSLC34A2
SCHEMBL47181 0.80 SLC34A2 (0.42) MAPTSLC34A2
SCHEMBL15444420 0.79 F10 (0.41) MAPK9MAPK14RXFP1F10
SCHEMBL47073 0.78 DRD2 (0.38) MEN1KMT2AMAPTLMNARET
SCHEMBL10148516 0.78 F10 (0.44) F10
SCHEMBL10225990 0.78 USP30 (0.41) MAPTLMNARETPDGFRAMAPK9
SCHEMBL46895 0.77 F10 (0.43) RXFP1F10
SCHEMBL45351 0.75 SMN1; SMN2 (0.56) NPC1RAB9AKMT2AHDAC1SMN1; SMN2
SCHEMBL11425652 0.74 SMN1; SMN2 (0.65) NPC1RAB9AKMT2AHDAC1SMN1; SMN2

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-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006474-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed