SCHEMBL7018210

SCHEMBL7018210

CCOC(=O)CCN(C(=O)CC(c1ccc2cc(Cl)ccc2c1)=S(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
GPR119 Q8TDV5 7/20 0.41
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7018207 0.82 F10 (0.44) F10MEN1KMT2ASMN1; SMN2DUSP3
SCHEMBL7016375 0.81 F10 (0.71) F10
SCHEMBL22999796 0.76 EPHX1 (0.42) MEN1KMT2ASMN1; SMN2GPR119ALDH1A1
SCHEMBL7018243 0.74 ANO1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL15297743 0.73 GPR119 (0.43) MEN1KMT2ASMN1; SMN2GPR119ALDH1A1
SCHEMBL7011037 0.73 F10 (0.59) F10MEN1KMT2A
SCHEMBL4712413 0.69 MEN1 (0.48) MEN1KMT2ASMN1; SMN2DUSP3PTPN5
SCHEMBL17271864 0.69 GPR119 (0.45) MEN1KMT2ASMN1; SMN2GPR119ALDH1A1
SCHEMBL22999775 0.68 NR1H2 (0.39) MEN1KMT2ASMN1; SMN2GPR119ALDH1A1
SCHEMBL4717960 0.68 NOS2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1

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
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed