SCHEMBL28374629

SCHEMBL28374629

CCOC(=O)CN1C(=O)SC(=Cc2ccccc2)C1=O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.81
BAG3 O95817 1/20 0.71
ITGB2 P05107 1/20 0.69
ITGAM P11215 1/20 0.69
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 1/20 0.66
DUSP3 P51452 1/20 0.66
PTPN5 P54829 1/20 0.66
PTPN11 Q06124 1/20 0.66
CTDSP1 Q9GZU7 1/20 0.66
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
SLC1A3 P43003 1/20 0.63
AKR1B1 P15121 3/20 0.62
KDR P35968 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL21783127 1.00 PPARG (0.81) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL21783145 0.90 PPARG (1.00) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL20534466 0.89 MEN1 (0.81) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL20534465 0.89 MEN1 (0.81) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL21783153 0.89 PPARG (0.84) PPARGBAG3MEN1KMT2APOLB
SCHEMBL9013025 0.88 AKR1B1 (0.79) PPARGMEN1KMT2APOLBALDH1A1
SCHEMBL9013028 0.88 AKR1B1 (0.79) PPARGMEN1KMT2APOLBALDH1A1
SCHEMBL21783142 0.88 PPARG (0.82) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL21783164 0.88 PPARG (1.00) PPARGBAG3ITGB2ITGAMMEN1
SCHEMBL21783171 0.88 PPARG (0.82) PPARGBAG3ITGB2ITGAMMEN1

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-110621315-A Heterocyclic inhibitors of lysine biosynthesis via the diaminopimelic acid pathway 拉筹伯大学 2019-12-27 CN disclosed