SCHEMBL19579942

SCHEMBL19579942

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NC3Cc4ccccc4C3)ccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.42
PRMT5 O14744 1/20 0.37
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35
LRRK2 Q5S007 2/20 0.34
MAPT P10636 4/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMYD2 Q9NRG4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 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 0.89 SLC34A2 (0.46) SLC34A2KDM4ELRRK2MAPTTSHR
SCHEMBL19580023 0.89 SLC34A2 (0.41) SLC34A2LMNAKMT2AMEN1KDM4C
SCHEMBL19579937 0.88 LMNA (0.43) SLC34A2TSHRALDH1A1LMNAKMT2A
SCHEMBL19595685 0.88 SLC34A2 (0.46) SLC34A2LRRK2MAPTSMN1; SMN2KMT2A
SCHEMBL39824 0.87 SLC34A2 (0.44) SLC34A2KDM5AKDM5BKDM4EKDM5C
SCHEMBL46435 0.87 SLC34A2 (0.47) SLC34A2KDM5AKDM5BKDM4EKDM5C
SCHEMBL19579995 0.86 SLC34A2 (0.43) SLC34A2LRRK2MAPTTSHRALDH1A1
SCHEMBL19580004 0.86 SLC34A2 (0.52) SLC34A2HDAC1PARP1
SCHEMBL19579947 0.86 SLC34A2 (0.53) SLC34A2SMYD2HDAC1
SCHEMBL19579984 0.85 SLC34A2 (0.46) SLC34A2ALDH1A1KMT2AMEN1HDAC1

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