SCHEMBL27484385

SCHEMBL27484385

CN(C)C(=O)c1cccc(CCS)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
FOLH1 Q04609 3/20 0.46
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
ACHE P22303 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERN1 O75460 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PPARG P37231 1/20 0.41
KIF11 P52732 1/20 0.41
OPRM1 P35372 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOX P28300 1/20 0.39

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
SCHEMBL7044973 0.86 FOLH1 (0.62) KMT2AMEN1FOLH1L3MBTL1ERN1
SCHEMBL7816351 0.85 CYP4F2 (0.61) KMT2AMEN1CYP4F2CYP4A11ACHE
SCHEMBL10268514 0.85 KMT2A (0.50) KMT2AMEN1CYP4F2CYP4A11ACHE
SCHEMBL9387193 0.82 CYP4F2 (0.49) KMT2AMEN1CYP4F2CYP4A11L3MBTL1
SCHEMBL29866123 0.81 KMT2A (0.53) KMT2AMEN1FOLH1CYP4F2CYP4A11
SCHEMBL322040 0.81 KMT2A (0.53) KMT2AMEN1CYP4F2CYP4A11L3MBTL1
SCHEMBL3996930 0.81 KMT2A (0.53) KMT2AMEN1FOLH1CYP4F2CYP4A11
SCHEMBL3276164 0.79 KMT2A (0.51) KMT2AMEN1FOLH1L3MBTL1ERN1
SCHEMBL30240849 0.79 KMT2A (0.56) KMT2AMEN1L3MBTL1ERN1HSD17B1
SCHEMBL929805 0.79 LOXL2 (0.60) KMT2AMEN1ACHEL3MBTL1ERN1

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
CN-1200915-C Process for preparing organic compound MITSUI CHEMICALS INC (JP) 2005-05-11 CN disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed