SCHEMBL28828607

SCHEMBL28828607

Cc1n[nH]c(SCC(=O)CC(=O)O)nc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL18562094 0.88 POLB (0.50) LMNAPOLBALDH1A1ATMMAPT
SCHEMBL7987260 0.77 KDM4E (0.37) LMNAPOLBALDH1A1HDAC3HDAC1
SCHEMBL9818953 0.63 POLB (0.46) LMNAPOLBALDH1A1ATMMAPT
SCHEMBL11668837 0.58 ALDH1A1 (0.41) LMNAPOLBALDH1A1HDAC3HDAC1
SCHEMBL4346796 0.57
SCHEMBL7983926 0.56 FFAR1 (0.69) LMNAPOLBALDH1A1MAPTSMN1; SMN2
Tiazotic Acid SCHEMBL6409061 0.54 POLB (0.51) LMNAPOLBALDH1A1ATMMAPT
SCHEMBL10564208 0.54 HDAC3 (0.41) LMNAPOLBHDAC3HDAC1HDAC2
SCHEMBL31514850 0.53 NPSR1 (0.35) LMNAALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL1323505 0.53 CYP2D6 (0.67) POLBALDH1A1MAPTL3MBTL1

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
CN-105601649-A Thiazolo[3,2-b]-1,2,4-triazine-3-acetic acid derivative and application thereof UNIV SHENYANG PHARMACEUTICAL 2016-05-25 CN disclosed