SCHEMBL19579995

SCHEMBL19579995

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
LRRK2 Q5S007 2/20 0.35
CTSA P10619 1/20 0.35
HDAC1 Q13547 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.33
CNR2 P34972 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL19579983 0.90 SLC34A2 (0.46) SLC34A2LRRK2SMN1; SMN2MAPTNPC1
SCHEMBL19595685 0.89 SLC34A2 (0.46) SLC34A2LRRK2HDAC1SMN1; SMN2MAPT
SCHEMBL39824 0.88 SLC34A2 (0.44) SLC34A2LRRK2HDAC1SMN1; SMN2MAPT
SCHEMBL19579965 0.87 SLC34A2 (0.47) SLC34A2LRRK2HDAC1NPC1RAB9A
SCHEMBL19580004 0.87 SLC34A2 (0.52) SLC34A2TRPV1HDAC1PARP1
SCHEMBL46435 0.87 SLC34A2 (0.47) SLC34A2HDAC1MAPTTP53LMNA
SCHEMBL19579947 0.87 SLC34A2 (0.53) SLC34A2HDAC1SMYD2
SCHEMBL46677 0.87 SLC34A2 (0.51) SLC34A2
SCHEMBL40010 0.87 SLC34A2 (0.39) SLC34A2TRPV1LRRK2HDAC1SMN1; SMN2
SCHEMBL19579978 0.86 SLC34A2 (0.51) 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 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