SCHEMBL24378772

SCHEMBL24378772

CNC(=O)NCCCCNC(=O)NN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
EPHX1 P07099 8/20 0.43
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
PRMT1 Q99873 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36

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
SCHEMBL13776964 0.89 EPHX1 (0.54) EPHX1KDM4EMAPK1HIF1APRMT1
SCHEMBL13466509 0.84 KEAP1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL9547610 0.82 EPHX1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL19171946 0.82 EPHX1 (0.61) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL19171419 0.80 EPHX1 (0.58) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL11382117 0.79 KEAP1 (0.55) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL18902598 0.79 KEAP1 (0.49) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL10244702 0.79 KEAP1 (0.49) KEAP1NFE2L2EPHX1KDM4E
SCHEMBL6285158 0.78 KEAP1 (0.55) KEAP1NFE2L2EPHX1KDM4EMAPK1
SCHEMBL10244563 0.77 DNM1 (0.50) KEAP1NFE2L2EPHX1KDM4EKMT2A

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-3988120-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2022-04-27 EP disclosed