SCHEMBL8433730

SCHEMBL8433730

CC(C)C(=O)NNCc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
KDM4E B2RXH2 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
HAO1 Q9UJM8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.43
NCOR1 O75376 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL22369511 0.85 GAA (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8432964 0.82 KMT2A (0.47) MEN1KMT2AL3MBTL1POLBGAA
SCHEMBL1070481 0.76 SLC6A4 (0.54) SLC6A4PPARGPPARA
SCHEMBL3294896 0.76 SLC6A4 (0.54) SLC6A4PPARGPPARA
SCHEMBL8433732 0.75 SLC6A4 (0.52) SLC6A4KDM4EMAPTHPGDNPC1
SCHEMBL31713831 0.74 SLC6A4 (0.54) SLC6A4KDM4EMAPTHPGDNPC1
SCHEMBL8935431 0.73 MEN1 (0.44) SLC6A4KDM4EHPGDNPC1RAB9A
SCHEMBL8935425 0.73 MEN1 (0.44) SLC6A4KDM4EHPGDNPC1RAB9A
SCHEMBL10683546 0.71 PTGS2 (0.54) SLC6A4PPARGPPARAHAO1LMNA
SCHEMBL8832825 0.71 SLC6A4 (0.54) SLC6A4KDM4EMAPTHPGDNPC1

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
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed