SCHEMBL7018207

SCHEMBL7018207

CCOC(=O)CCN(C(=O)C(Cc1ccc2cc(Cl)ccc2c1)=S(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
GPR119 Q8TDV5 5/20 0.38
ALOX15 P16050 1/20 0.37
NR1D1 P20393 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7018210 0.82 F10 (0.47) F10SMN1; SMN2DUSP3PTPN5PTPN11
SCHEMBL7016375 0.79 F10 (0.71) F10
SCHEMBL7017231 0.73 F10 (0.45) F10
SCHEMBL15297743 0.72 GPR119 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1GPR119
SCHEMBL7011037 0.72 F10 (0.59) F10MEN1KMT2A
SCHEMBL22999796 0.70 EPHX1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL7020200 0.69 F10 (0.44) F10
SCHEMBL4712413 0.68 MEN1 (0.48) SMN1; SMN2DUSP3PTPN5PTPN11TP53
SCHEMBL17271864 0.68 GPR119 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1GPR119
SCHEMBL18143022 0.67 HTR2A (0.52) MEN1KMT2AALDH1A1GPR119

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