SCHEMBL19850397

SCHEMBL19850397

C[S+]([O-])c1ccc(SCc2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.50
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
GAA P10253 1/20 0.41
F2RL3 Q96RI0 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
PRMT5 O14744 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
SCHEMBL1118464 0.87 GPR119 (0.51) GPR119
SCHEMBL19850477 0.84 GPR119 (0.54) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL19850532 0.83 GPR119 (0.49) GPR119THRBF2RL3MAPTKDM4E
SCHEMBL3144261 0.79 GPR119 (0.60) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL1269808 0.78 GPR119 (0.51) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL12897372 0.78 GPR119 (0.54) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL27975342 0.78 GPR119 (0.54) GPR119SMN1; SMN2THRBGAAF2RL3
Iodide SCHEMBL1270227 0.77 GPR119 (0.55) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL2732435 0.77 GPR119 (0.55) GPR119SMN1; SMN2THRBGAAF2RL3
SCHEMBL907209 0.77 GPR119 (0.58) GPR119SMN1; SMN2THRBGAAF2RL3

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-2018026890-A1 OXYMETHYLENE ARYL COMPOUNDS FOR TREATING INFLAMMATORY GASTROINTESTINAL DISEASES OR GASTROINTESTINAL CONDITIONS CYMABAY THERAPEUTICS (US) 2018-02-08 WO disclosed