SCHEMBL19579983

SCHEMBL19579983

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)Nc3ccccc3)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.46
MAPT P10636 10/20 0.43
NPC1 O15118 9/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PARP1 P09874 1/20 0.41
LRRK2 Q5S007 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GFER P55789 1/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 1/20 0.39
ESR2 Q92731 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
SCHEMBL15444403 0.93 SLC34A2 (0.45) SLC34A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19595685 0.92 SLC34A2 (0.46) SLC34A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL39824 0.92 SLC34A2 (0.44) SLC34A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6000093 0.92 SLC34A2 (0.54) SLC34A2MAPTKMT2AMEN1ALDH1A1
SCHEMBL19579995 0.90 SLC34A2 (0.43) SLC34A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL46435 0.90 SLC34A2 (0.47) SLC34A2MAPTTP53LMNAKDM4E
SCHEMBL19579947 0.90 SLC34A2 (0.53) SLC34A2
SCHEMBL19580004 0.90 SLC34A2 (0.52) SLC34A2PARP1
SCHEMBL19579978 0.89 SLC34A2 (0.51) SLC34A2
SCHEMBL19579942 0.89 SLC34A2 (0.42) SLC34A2MAPTNPC1RAB9ASMN1; 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 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 claimed