SCHEMBL46686

SCHEMBL46686

CC(N)(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(SCc3ccccc3)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
GALR3 O60755 1/20 0.40
MAPT P10636 1/20 0.40
NTRK1 P04629 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
MAPK14 Q16539 3/20 0.37
HDAC1 Q13547 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
DDR2 Q16832 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL15432681 0.86 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPK1GALR3MAPT
SCHEMBL6000392 0.84 NTRK1 (0.36) NTRK1MEN1KMT2ARAF1BRAF
SCHEMBL47765 0.82 SLC34A2 (0.46) LMNARAF1BRAFMAPK14HDAC1
SCHEMBL5998771 0.82 BRAF (0.46) LMNARAF1BRAFMAPK14TRPV4
SCHEMBL6000389 0.82 BRAF (0.46) RAF1BRAFMAPK14TRPV4
SCHEMBL6002496 0.82 BRAF (0.47) LMNARAF1BRAFMAPK14TRPV4
SCHEMBL19595891 0.81 LRRK2 (0.38) SMN1; SMN2LMNAMAPK1GALR3MAPT
SCHEMBL46779 0.80 TAOK3 (0.44) LMNAMAPTMEN1KMT2A
SCHEMBL5998372 0.79 BRAF (0.46) RAF1BRAFMAPK14HDAC1TRPV4
SCHEMBL5998740 0.77 SLC34A2 (0.46) RAF1BRAFMAPK14HDAC1TRPV4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed