SCHEMBL19955899

SCHEMBL19955899

CS(=O)(=O)NC(=O)CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
EPHX2 P34913 2/20 0.33
CXCL8 P10145 1/20 0.33
DGAT1 O75907 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
PLA2G10 O15496 1/20 0.31
NR4A2 P43354 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6846135 0.79
Hydrochloric Acid SCHEMBL31301878 0.77 CA2 (0.40) CA2EPHX2CXCL8KDM4ELMNA
SCHEMBL18778812 0.76 LDHA (0.42) CA2EPHX2CXCL8KDM4ECXCR1
SCHEMBL92834 0.76
SCHEMBL14178232 0.76 CA2 (0.38) CA2EPHX2CXCL8KDM4EALDH1A1
SCHEMBL3713808 0.76
SCHEMBL1161702 0.75 EPHX2 (0.38) CA2EPHX2CXCL8PLA2G10NR4A2
SCHEMBL28356260 0.75 ALOX15 (0.39) CXCL8LMNAALOX15CYP2C19HSD17B10
SCHEMBL1751607 0.75
Hydrochloric Acid SCHEMBL5379762 0.74 MEN1 (0.39) CA2EPHX2CXCL8KDM4EALDH1A1

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-3154944-B1 SUBSTITUTED PYRIDINONES AS MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-14 EP disclosed