SCHEMBL31047360

SCHEMBL31047360

CC(C)(C)OC(=O)Nc1cccc2ncc(N3CC(F)(F)C3)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 5/20 0.41
▸ CKS1B P61024 3/20 0.39
▸ SKP1 P63208 3/20 0.39
▸ SKP2 Q13309 3/20 0.39
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAP4K4 O95819 3/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ BRD9 Q9H8M2 1/20 0.34

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 1.00 HCAR2 (0.41) HCAR2CKS1BSKP1SKP2TSHR
SCHEMBL31047337 0.92 HCAR2 (0.41) HCAR2CKS1BSKP1SKP2TSHR
SCHEMBL31047359 0.80 ACACB (0.42) HCAR2CKS1BSKP1SKP2TSHR
SCHEMBL31047354 0.72 KIF18A (0.49) —
SCHEMBL31047362 0.71 MET (0.41) HCAR2
SCHEMBL31047351 0.69 TSHR (0.37) TSHRFSHRGSK3BDYRK1ARXFP1
SCHEMBL31047350 0.69 TSHR (0.37) TSHRFSHRGSK3BDYRK1ARXFP1
SCHEMBL31047340 0.69 IDH1 (0.37) TSHRFSHRGSK3BRXFP1BRD4
SCHEMBL29532149 0.68 METAP1 (0.46) RXFP1METAP1
SCHEMBL22556188 0.68 TDP1 (0.61) TSHRMETAP1

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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