SCHEMBL19579972

SCHEMBL19579972

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.49
HDAC1 Q13547 6/20 0.47
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK14 Q16539 1/20 0.40
KDM1A O60341 5/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKA O14965 1/20 0.38

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
SCHEMBL19579960 0.94 SLC34A2 (0.49) SLC34A2HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL19580004 0.93 SLC34A2 (0.52) SLC34A2HDAC1KDM1A
SCHEMBL19579952 0.92 SLC34A2 (0.49) SLC34A2HDAC1KDM1AMAPT
SCHEMBL19580005 0.91 SLC34A2 (0.52) SLC34A2HDAC1KDM1A
SCHEMBL19579946 0.91 SLC34A2 (0.51) SLC34A2HDAC1POLBKDM1AMAPT
SCHEMBL19579947 0.90 SLC34A2 (0.53) SLC34A2HDAC1KDM1AAURKARPS6KB1
SCHEMBL46817 0.90 KDM1A (0.51) SLC34A2HDAC1KDM1AMAPK1AURKA
SCHEMBL19579978 0.89 SLC34A2 (0.51) SLC34A2HDAC1KDM1A
SCHEMBL19579948 0.89 SLC34A2 (0.54) SLC34A2HDAC1ALDH1A1KDM1AMAPT
SCHEMBL46688 0.89 SLC34A2 (0.53) SLC34A2HDAC1SMN1; SMN2HTTKDM1A

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