SCHEMBL46905

SCHEMBL46905

CNc1ccc(N2CCCCC2)cc1C(=O)Nc1ncc(-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.46
F10 P00742 4/20 0.46
EPHB3 P54753 1/20 0.43
MAPT P10636 5/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
KLF5 Q13887 1/20 0.42
PIK3CA P42336 2/20 0.41
AKT1 P31749 1/20 0.41
MTOR P42345 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL10149729 0.87 MEN1 (0.46) F10MAPTALDH1A1NPSR1HTT
SCHEMBL10149225 0.85 IP6K1 (0.53) LRRK2F10EPHB3MAPTRAB9A
SCHEMBL46907 0.81 F10 (0.51) LRRK2F10EPHB3MAPTRAB9A
SCHEMBL1697044 0.81 LRRK2 (0.47) LRRK2F10EPHB3MAPTALDH1A1
SCHEMBL46914 0.75 LRRK2 (0.43) LRRK2F10
SCHEMBL40407 0.73 IP6K1 (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL46590 0.73 MEN1 (0.46) MAPTALDH1A1NPSR1HTTSRC
SCHEMBL40848 0.71 F10 (0.50) LRRK2F10MAPTRAB9ANPC1
SCHEMBL1696925 0.71 HPGD (0.49) MAPTSMN1; SMN2ALDH1A1L3MBTL1HTT
SCHEMBL40465 0.70 RXFP1 (0.52) LRRK2F10MAPTRAB9ANPC1

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