SCHEMBL31047359

SCHEMBL31047359

CC(C)(C)OC(=O)Nc1cccc2nc(N3CC(F)(F)C3)ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.42
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ CKS1B P61024 2/20 0.37
▸ SKP1 P63208 2/20 0.37
▸ SKP2 Q13309 2/20 0.37
▸ BRAF P15056 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL31047361 0.80 HCAR2 (0.41) TSHRFSHRCKS1BSKP1SKP2
SCHEMBL31047360 0.80 HCAR2 (0.41) TSHRFSHRCKS1BSKP1SKP2
SCHEMBL31047337 0.80 HCAR2 (0.41) TSHRFSHRCKS1BSKP1SKP2
SCHEMBL31047324 0.72 KIF18A (0.48) —
SCHEMBL31047332 0.70 ACACB (0.38) ACACBGAATSHRDYRK1A
SCHEMBL116767 0.69 MEN1 (0.65) MEN1KMT2AMETAP1CYP3A4
SCHEMBL31047340 0.69 IDH1 (0.37) ACACBKCNQ3KCNQ2KMT2ATSHR
SCHEMBL31047342 0.69 IDH1 (0.37) ACACBKCNQ3KCNQ2KMT2ATSHR
SCHEMBL2396852 0.67 ALDH1A1 (0.63) MEN1NPC1GAARAB9AKMT2A
SCHEMBL17336621 0.66 TRPV1 (0.46) BRD9GSK3BDYRK1ARXFP1METAP1

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-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 — — WO disclosed
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