SCHEMBL22556550

SCHEMBL22556550

CCC(=O)N(N)C(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 7/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ SIRT2 Q8IXJ6 4/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22556586 0.78 CDC25B (0.56) TAS2R14MAPTHTTNPSR1
SCHEMBL20553269 0.77 RXFP1 (0.58) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL25279533 0.76 AKR1C3 (0.60) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL22571369 0.76 SIRT2 (0.62) TAS2R14RXFP1MAPK8PTGS1SIRT2
SCHEMBL22571350 0.76 RXFP1 (0.51) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL4245559 0.75 MAPK8 (0.67) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL21765032 0.74 MAPT (0.69) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL21764748 0.74 RXFP1 (0.47) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL23388931 0.73 MAPK8 (0.38) TAS2R14RXFP1AKR1C3AKR1C2MAPK8
SCHEMBL28322767 0.71 TSHR (0.56) TAS2R14SIRT2MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 — — EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 — — WO disclosed
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