SCHEMBL4782270

SCHEMBL4782270

Cc1ccc(S(=O)(=O)OCCc2nc(N(C)C)sc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
PSMD10 O75832 1/20 0.39
STAT3 P40763 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PPARG P37231 2/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
PPARA Q07869 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4884449 0.78 PPARA (0.47) PPARGPPARA
SCHEMBL4893501 0.77 PPARA (0.44) PPARGMEN1KMT2ANPC1PPARA
SCHEMBL4892388 0.76 PPARA (0.48) LMNAPPARGKMT2APPARA
SCHEMBL4896548 0.75 ALDH1A1 (0.42) SMN1; SMN2LMNAPSMD10STAT3PPARG
SCHEMBL4896669 0.75 RXFP1 (0.44) SMN1; SMN2PSMD10PPARGKMT2APPARA
SCHEMBL4889147 0.75 ALDH1A1 (0.53) PPARGMEN1KMT2APPARA
SCHEMBL4897320 0.75 KDM4E (0.44) LMNAPPARGGAAMEN1KMT2A
SCHEMBL4888392 0.74 KDM4E (0.51) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL4885887 0.73 RAB9A (0.42) SMN1; SMN2PPARGMEN1KMT2APPARA
SCHEMBL241884 0.71 CA1 (0.52) SMN1; SMN2LMNASTAT3CA12CA1

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
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed