SCHEMBL21586450

SCHEMBL21586450

C#CCNC(=O)CCc1ccc(S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
HDAC1 Q13547 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL22231488 0.83 HPGD (0.58) ALDH1A1L3MBTL1HPGDHDAC1KDM4E
SCHEMBL18007647 0.80 ALDH1A1 (0.62) POLBALDH1A1HSD17B10CA1CA2
SCHEMBL20900686 0.78 ERCC1 (0.57) POLBALDH1A1HPGDKDM4ELMNA
SCHEMBL21586473 0.78 ALDH1A1 (0.40) POLBMTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL3487707 0.75 MTNR1A (0.45) POLBMTNR1AMTNR1BALDH1A1TAAR1
SCHEMBL18232229 0.75 MTNR1A (0.40) POLBMTNR1AMTNR1BTRPV1ERCC1
SCHEMBL8532525 0.74 CYP1A2 (0.51) ALDH1A1L3MBTL1HDAC1KDM4EHDAC2
SCHEMBL28999845 0.73 KMT2A (0.58) POLBALDH1A1HPGDHDAC1LMNA
SCHEMBL13080230 0.71 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4ELMNAMEN1
SCHEMBL1501816 0.70 CYP4F2 (0.50) POLBALDH1A1LMNAKMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578547-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2019-12-11 EP disclosed