SCHEMBL30020331

SCHEMBL30020331

O=C1NC(=S)NC(=O)C1=Cc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 1.00
SIRT2 Q8IXJ6 4/20 0.65
SIRT1 Q96EB6 3/20 0.65
SIRT5 Q9NXA8 3/20 0.65
SIRT3 Q9NTG7 2/20 0.65
PARP1 P09874 1/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
NTSR1 P30989 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDR P35968 1/20 0.57
NAT1 P18440 1/20 0.54
PIM1 P11309 1/20 0.51

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
SCHEMBL16543019 0.85 METAP1 (1.00) METAP1SIRT2PARP1MAPK1TDP1
SCHEMBL13848499 0.81 METAP1 (0.69) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL4042113 0.81 METAP1 (0.69) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL13587000 0.81 SIRT2 (0.69) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL15421462 0.81 METAP1 (0.73) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL1520357 0.81 SIRT2 (0.80) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL14712988 0.80 METAP1 (0.71) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL13848496 0.79 SIRT2 (0.76) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL4037478 0.79 SIRT2 (0.76) METAP1SIRT2SIRT1SIRT5SIRT3
SCHEMBL4037782 0.77 METAP1 (0.76) METAP1SIRT2SIRT1SIRT5SIRT3

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
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO claimed
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO disclosed