SCHEMBL46897

SCHEMBL46897

BCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2cnc(-c3ccccc3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.49
F10 P00742 2/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PARP1 P09874 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL40295 0.92 LRRK2 (0.49) LRRK2F10RXFP1MAPTNPC1
SCHEMBL40848 0.89 F10 (0.50) LRRK2F10RXFP1MAPTNPC1
SCHEMBL1696944 0.86 LRRK2 (0.47) LRRK2F10RXFP1MAPTNPC1
SCHEMBL46917 0.86 LRRK2 (0.48) LRRK2F10RXFP1MAPTNPC1
SCHEMBL40465 0.85 RXFP1 (0.52) LRRK2F10RXFP1MAPTNPC1
SCHEMBL45586 0.84 LRRK2 (0.46) LRRK2F10RXFP1MAPTNPC1
SCHEMBL15444419 0.80 LRRK2 (0.42) LRRK2F10RXFP1MAPTNPC1
SCHEMBL46907 0.80 F10 (0.51) LRRK2F10MAPTNPC1RAB9A
SCHEMBL10148534 0.79 LCK (0.42) LRRK2F10RXFP1KMT2AMEN1
SCHEMBL15433035 0.78 DGAT1 (0.45) LRRK2F10RXFP1MAPTRAB9A

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