SCHEMBL18059175

SCHEMBL18059175

CC(C)(C)OC(=O)CCSCc1cccc(Cc2ccc(N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 10/20 0.37
KDM5A P29375 6/20 0.37
KDM5B Q9UGL1 6/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA6 Q16445 2/20 0.33
KDM4A O75164 3/20 0.32
KDM2B Q8NHM5 1/20 0.32

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
SCHEMBL39648 0.86 SLC34A2 (0.44) KDM4CKDM5AKDM5BKDM4EMEN1
SCHEMBL40138 0.80 SLC34A2 (0.42) KDM4CKDM5BKDM4EMEN1ALDH1A1
SCHEMBL40191 0.80 SLC34A2 (0.42) MEN1ALDH1A1KMT2ATP53MAPT
SCHEMBL46664 0.77 SLC34A2 (0.49) MAPT
SCHEMBL18059177 0.77 SLC34A2 (0.46) KDM4CKDM4E
SCHEMBL39885 0.76 SLC34A2 (0.48) MEN1KMT2AALK
SCHEMBL40026 0.76 KDM1A (0.47) ALK
SCHEMBL39707 0.76 SLC34A2 (0.58) KDM4E
SCHEMBL39971 0.75 SLC34A2 (0.59) KDM4E
SCHEMBL44858 0.74 SLC34A2 (0.45) ALK

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-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed