SCHEMBL8649693

SCHEMBL8649693

CCCn1c(=O)c2ccccc2n(SSn2c(=S)n(CCC)c(=O)c3ccccc32)c1=S

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.52
APOBEC3G Q9HC16 3/20 0.52
PGR P06401 2/20 0.49
CNR2 P34972 1/20 0.47
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10994498 0.85 PLK1 (0.47) PLK1APOBEC3GPGRCNR2RORA
SCHEMBL10991227 0.73 PGR (0.49) PLK1APOBEC3GPGRCNR2RORA
SCHEMBL12963428 0.72 PGR (0.61) PLK1APOBEC3GPGRCNR2RORA
SCHEMBL11462755 0.69 APEX1 (0.55) PLK1APOBEC3GPGRGAAKDM4E
SCHEMBL24324198 0.69 PLK1 (1.00) PLK1APOBEC3GGAANPC1
SCHEMBL13386557 0.69 ALDH1A1 (0.71) PGRRORARORCRORBGAA
SCHEMBL6400912 0.68 PGR (0.64) PLK1APOBEC3GPGRCNR2RORA
SCHEMBL12963546 0.68 PGR (0.59) PLK1PGRCNR2RORARORC
SCHEMBL24324227 0.68 PLK1 (1.00) PLK1APOBEC3GGAANPC1SMN1; SMN2
SCHEMBL153959 0.67 ALDH1A1 (0.62) PGRCNR2RORARORCRORB

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-0946095-A1 FUNGICIDAL QUINAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998026664-A1 FUNGICIDAL QUINAZOLINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-25 WO disclosed