SCHEMBL20436347

SCHEMBL20436347

Cc1ccc2c(C(=O)CS(C)(=O)=O)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.57
RAB9A P51151 3/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.48
MAPT P10636 4/20 0.47
MITF O75030 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HAT1 O14929 2/20 0.44
EP300 Q09472 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
HTR2A P28223 1/20 0.42
TP53 P04637 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL20436338 0.89 RAB9A (0.69) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL23612416 0.82 MAPT (0.44) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL26002272 0.78 NR4A2 (0.58) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL2659416 0.78 NR4A2 (0.71) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL28703138 0.77 NR4A2 (0.57) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL17032685 0.77 NR4A2 (0.69) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL16205922 0.75 NR4A2 (0.67) NR4A2RAB9ALMNAALDH1A1MAPT
SCHEMBL1558890 0.74 NR4A2 (0.65) NR4A2RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL23612425 0.74 LMNA (0.47) RAB9ALMNAALDH1A1MAPTMITF
SCHEMBL20424866 0.73 ALDH1A1 (0.49) RAB9ALMNAALDH1A1MAPTMITF

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-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed