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Sugi Predict / Compounds / SCHEMBL22485146

SCHEMBL22485146

SCHEMBL22485146

CC(C)(C)CNc1ccc(NC(=O)c2cc(F)c(O)c(C=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ SNCA P37840 4/20 0.43
▸ ERN1 O75460 10/20 0.41
▸ TRPA1 O75762 1/20 0.38
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ NQO2 P16083 1/20 0.37

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
SCHEMBL22465977 0.83 TOP1 (0.41) TOP1TOP2ATOP2BSNCAERN1
SCHEMBL29378214 0.83 TOP1 (0.41) TOP1TOP2ATOP2BSNCAERN1
SCHEMBL29374896 0.81 NPC1 (0.54) TOP1TOP2ATOP2BSNCA
SCHEMBL22466034 0.81 NPC1 (0.54) TOP1TOP2ATOP2BSNCA
SCHEMBL22466044 0.80 ERN1 (0.50) TOP1TOP2ATOP2BSNCAERN1
SCHEMBL29381898 0.80 ERN1 (0.50) TOP1TOP2ATOP2BSNCAERN1
SCHEMBL22485072 0.76 KCNQ3 (0.45) KCNQ3KCNQ2
SCHEMBL22466162 0.75 RAB9A (0.44) TOP1TOP2ATOP2BSNCAERN1
SCHEMBL22466035 0.74 RAB9A (0.57) KCNQ3KCNQ2
SCHEMBL29377773 0.74 RAB9A (0.57) KCNQ3KCNQ2

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-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 — — WO disclosed
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