SCHEMBL29381620

SCHEMBL29381620

CN(CC(C)(C)C)c1ccc(NC(=O)c2cc(F)c(O)c(C3OCC(C)(C)CO3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 4/20 0.38
▸ TOP1 P11387 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ NCOR2 Q9Y618 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL22465929 1.00 SNCA (0.38) SNCATOP1TOP2ATOP2BHDAC3
SCHEMBL22465943 0.78 BRD4 (0.40) SNCATOP1TOP2ATOP2BHDAC3
SCHEMBL22465944 0.78 BRD4 (0.40) SNCATOP1TOP2ATOP2BHDAC3
SCHEMBL22466254 0.77 RAB9A (0.41) SNCAHDAC3MAPTLMNANPC1
SCHEMBL29377974 0.77 RAB9A (0.41) SNCAHDAC3MAPTLMNANPC1
SCHEMBL29378214 0.76 TOP1 (0.41) SNCATOP1TOP2ATOP2BHDAC3
SCHEMBL22465977 0.76 TOP1 (0.41) SNCATOP1TOP2ATOP2BHDAC3
SCHEMBL22466021 0.76 BRD4 (0.38) SNCATOP1TOP2ATOP2BMAPT
SCHEMBL22466101 0.76 BRD4 (0.38) SNCATOP1TOP2ATOP2BMAPT
SCHEMBL22465920 0.71 P2RY1 (0.40) MAPTLMNANPC1RAB9AKMT2A

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
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 — — EP disclosed
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