SCHEMBL24686356

SCHEMBL24686356

CN(C)/C=N/S(=O)(=O)c1cc(NC(=O)OC(C)(C)C)ccc1COc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.41
PTPN1 P18031 2/20 0.39
ADAMTS4 O75173 1/20 0.39
FAAH O00519 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GSK3B P49841 1/20 0.37
BACE1 P56817 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
SCHEMBL24686354 0.81 KCNJ5 (0.51)
SCHEMBL24686353 0.79 KCNJ6 (0.44)
SCHEMBL24686352 0.78 MAOB (0.41) PTPN1GSK3BBACE1
SCHEMBL23619931 0.70 ATR (0.41) RORC
SCHEMBL2942771 0.69 MAOB (0.56) PTPN1FAAH
SCHEMBL23619996 0.69 MAPKAPK2 (0.35) RORCGSK3B
SCHEMBL23619734 0.69 NAMPT (0.39)
SCHEMBL632848 0.68 MEN1 (0.54) FAAH
SCHEMBL31703470 0.67 MAOB (0.58) SIRT2
SCHEMBL25820980 0.67 MAPT (0.49) ADAMTS4

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-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 WO disclosed