SCHEMBL9879925

SCHEMBL9879925

O=C1c2ccccc2SC(F)C1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 2/20 0.39
SLC2A1 P11166 1/20 0.39
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL28521548 0.69 MEN1 (0.49) MAPK1CYP19A1MAPTMEN1KMT2A
SCHEMBL11205372 0.67 TP53 (0.36) MAPK1GAATP53CYP19A1MAPT
Fluindione SCHEMBL309362 0.66 MAPT (0.68) MAPK1GAATP53CYP19A1MAPT
Fluindione SCHEMBL29362659 0.66 MAPT (0.68) MAPK1GAATP53CYP19A1MAPT
SCHEMBL13940537 0.66 MEN1 (0.41) MAPK1GAATP53MAPTMEN1
SCHEMBL22691592 0.65 HTR7 (0.40) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4048521 0.63 MEN1 (0.38) MAPK1GAATP53MAPTMEN1
SCHEMBL68097 0.63 PIM1 (0.39) MAPK1GAATP53MAPTMEN1
SCHEMBL13302892 0.63 ACHE (0.39) MAPK1GAATP53MAPTMEN1
SCHEMBL68578 0.63 ACHE (0.39) MAPK1GAATP53MAPTMEN1

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
EP-0452406-A1 SUBSTITUTED SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-23 EP disclosed
WO-1990007495-A1 SUBSTITUTED SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-12 WO disclosed