SCHEMBL22784252

SCHEMBL22784252

O=C(CO)N1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.64
HDAC3 O15379 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
TAAR1 Q96RJ0 2/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
DPP8 Q6V1X1 1/20 0.61
DPP7 Q9UHL4 1/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL9138101 0.85 HDAC3 (0.71) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL7929895 0.84 HDAC3 (0.70) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL29676811 0.84 NOTUM (0.62) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL30297726 0.84 NPC1 (0.64) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL7299747 0.84 NOTUM (0.62) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL1545565 0.84 NPC1 (0.64) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL303340 0.84 NOTUM (0.67) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL13487186 0.84 NOTUM (0.67) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL5253678 0.84 NOTUM (0.62) NOTUMHDAC3HDAC1HDAC10HDAC11
SCHEMBL6228768 0.83 HDAC3 (0.68) NOTUMHDAC3HDAC1HDAC10HDAC11

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-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed