SCHEMBL46832

SCHEMBL46832

CNCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.44
TRPA1 O75762 1/20 0.43
SERPINE1 P05121 5/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 1/20 0.39
SRPK2 P78362 1/20 0.39
SRPK1 Q96SB4 1/20 0.39

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
SCHEMBL18040400 0.88 F10 (0.40) F10TRPA1SERPINE1MAPTKDM4E
SCHEMBL10226260 0.86 F10 (0.41) F10TRPA1MAPTKDM4EALDH1A1
SCHEMBL46809 0.86 F10 (0.41) F10TRPA1MAPTKDM4EALDH1A1
SCHEMBL47058 0.86 F10 (0.42) F10TRPA1MAPTKDM4EALDH1A1
SCHEMBL47758 0.86 F10 (0.40) F10TRPA1MAPTKDM4EALDH1A1
SCHEMBL46581 0.86 F10 (0.43) F10TRPA1SERPINE1MAPTKDM4E
SCHEMBL44799 0.85 PHGDH (0.46) F10TRPA1MAPTKDM4ELMNA
SCHEMBL10225110 0.82 SERPINE1 (0.39) F10TRPA1SERPINE1MAPTKDM4E
SCHEMBL10226211 0.82 TRPA1 (0.40) F10TRPA1MAPTKDM4EALDH1A1
SCHEMBL47072 0.81 MEN1 (0.41) F10TRPA1MAPTKDM4EALDH1A1

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