SCHEMBL40010

SCHEMBL40010

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(CCC(O)c3ccccc3)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 3/20 0.39
LRRK2 Q5S007 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HDAC1 Q13547 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 4/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL46762 0.94 SLC34A2 (0.40) SLC34A2LRRK2HDAC1PARP1MAPT
SCHEMBL19579995 0.87 SLC34A2 (0.43) SLC34A2LRRK2HDAC1PARP1MAPT
SCHEMBL19579983 0.86 SLC34A2 (0.46) SLC34A2LRRK2PARP1MAPTNPC1
SCHEMBL39824 0.85 SLC34A2 (0.44) SLC34A2LRRK2HDAC1PARP1MAPT
SCHEMBL19595685 0.84 SLC34A2 (0.46) SLC34A2LRRK2HDAC1PARP1MAPT
SCHEMBL15444418 0.83 SLC34A2 (0.49) SLC34A2MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL19579965 0.82 SLC34A2 (0.47) SLC34A2LRRK2HDAC1PARP1NPC1
SCHEMBL19580004 0.82 SLC34A2 (0.52) SLC34A2HDAC1PARP1TRPV1
SCHEMBL46435 0.82 SLC34A2 (0.47) SLC34A2HDAC1MAPTTP53KDM4E
SCHEMBL19579947 0.82 SLC34A2 (0.53) SLC34A2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
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