SCHEMBL46809

SCHEMBL46809

BCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
TRPA1 O75762 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP3K7 O43318 2/20 0.39
IRAK1 P51617 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
KDR P35968 1/20 0.38
SRPK2 P78362 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
SRPK3 Q9UPE1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL47058 0.93 F10 (0.42) F10TRPA1MAPTLMNAMEN1
SCHEMBL10226260 0.93 F10 (0.41) F10TRPA1MAPTLMNAMEN1
SCHEMBL46581 0.89 F10 (0.43) F10TRPA1MAPTLMNAMEN1
SCHEMBL46822 0.88 MAPT (0.40) F10TRPA1MAPTLMNAMEN1
SCHEMBL44799 0.87 PHGDH (0.46) F10TRPA1MAPTLMNAMEN1
SCHEMBL46889 0.87 F10 (0.37) F10TRPA1MAPTLMNAMEN1
SCHEMBL10225110 0.87 SERPINE1 (0.39) F10TRPA1MAPTLMNAMEN1
SCHEMBL46832 0.86 F10 (0.44) F10TRPA1MAPTLMNAMEN1
SCHEMBL45411 0.86 PPARG (0.38) F10TRPA1MAPTLMNAMEN1
SCHEMBL10225259 0.86 TRPA1 (0.37) F10TRPA1MAPTLMNAMEN1

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