SCHEMBL8519905

SCHEMBL8519905

CCCOc1nc2ccc(SC#N)cc2c(=O)n1CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARG Q86W56 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL8423120 0.88 USP2 (0.46) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL8422870 0.85 USP2 (0.44) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL8425981 0.83 USP2 (0.42) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL21925 0.79 USP2 (0.47) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL7643515 0.79 USP2 (0.47) USP2MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL192788 0.79 TP53 (0.51) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL8426424 0.79 TDP1 (0.43) USP2ALDH1A1LMNAMAPTTSHR
SCHEMBL8406727 0.78 USP2 (0.46) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL8406726 0.77 USP2 (0.45) USP2MAPK1ALDH1A1LMNAMAPT
SCHEMBL5712364 0.76 ALDH1A1 (0.59) USP2MAPK1ALDH1A1LMNAMAPT

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