SCHEMBL2423161

SCHEMBL2423161

CC(=O)c1sc(NC(=O)C2CC=CCC2C(=O)O)nc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
KMT2A Q03164 5/20 0.72
MEN1 O00255 4/20 0.72
POLB P06746 3/20 0.72
TDP1 Q9NUW8 3/20 0.72
RXFP1 Q9HBX9 7/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
RAB9A P51151 9/20 0.50
NPC1 O15118 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPSR1 Q6W5P4 3/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1915613 0.85 TDP1 (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL1916359 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL4473418 0.76 RXFP1 (0.70) ALDH1A1SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL1914837 0.75 TDP1 (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL1915349 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL2835357 0.73 RXFP1 (0.70) ALDH1A1SMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL1914731 0.73 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL1917022 0.72 MEN1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL1915242 0.72 POLB (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL2398140 0.71 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1POLB

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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed