SCHEMBL2051650

SCHEMBL2051650

CC(=O)N1CCSC1C(=O)NNC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 11/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 10/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.45
ALPL P05186 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL6606870 0.72 TERT (0.46) GAALMNARAB9ASMN1; SMN2KDM4E
SCHEMBL7968937 0.67 MAPT (0.64) KMT2AGAAMEN1RAB9ASMN1; SMN2
SCHEMBL5192592 0.67 KMT2A (0.70) KMT2AGAAMEN1LMNARAB9A
SCHEMBL11142926 0.66 TAS1R3 (0.67) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL18359200 0.65 NPC1 (0.68) KMT2AGAAMEN1LMNARAB9A
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.65 KDM4E (0.71) KMT2AMEN1RAB9ASMN1; SMN2KDM4E
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.65 KDM4E (0.71) KMT2AMEN1RAB9ASMN1; SMN2KDM4E
SCHEMBL5010361 0.64 TAS1R3 (0.61) KMT2AGAAMEN1LMNARAB9A
SCHEMBL108225 0.64 ALDH1A1 (0.90) KMT2AGAALMNAALDH1A1HPGD
SCHEMBL21165315 0.64 NPC1 (0.66) KMT2AGAAMEN1LMNARAB9A

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-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO disclosed
WO-2011066864-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-06-09 WO disclosed