SCHEMBL5530601

SCHEMBL5530601

O=C(O)c1cc2c(F)cccc2[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.64
DDO Q99489 2/20 0.64
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
PBRM1 Q86U86 1/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
AHR P35869 1/20 0.45
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9165132 0.81 UCHL1 (0.49) PARP1KDM4ETDP1PBRM1GAA
SCHEMBL30189206 0.80 FLT3 (0.60) DAODDOKDM4ETDP1GAA
SCHEMBL3417091 0.80 FLT3 (0.60) DAODDOKDM4ETDP1GAA
SCHEMBL5862683 0.79 KDM4E (0.56) DAODDOKDM4EGAAALDH1A1
SCHEMBL3363456 0.78 DAO (1.00) DAODDOKDM4EALDH1A1FLT3
SCHEMBL9286942 0.77 PARP1 (0.46) DAODDOPARP1KDM4ETDP1
SCHEMBL27492839 0.77 PARP1 (0.46) DAODDOPARP1KDM4ETDP1
SCHEMBL4426955 0.75 DAO (0.56) DAODDOPARP1KDM4EALDH1A1
SCHEMBL3168872 0.75 PARP1 (0.43) DAODDOPARP1KDM4ETDP1
SCHEMBL12970533 0.75 DAO (0.65) DAODDOPARP1KDM4EGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1338599-B1 Optically pure analogues of Camptothecin SOD CONSEILS RECH APPLIC (FR) 2007-02-14 EP disclosed
EP-1338599-A1 Optically pure analogues of Camptothecin Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-08-27 EP disclosed
EP-1165565-B1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOD CONSEILS RECH APPLIC (FR) 2003-06-04 EP disclosed
EP-1165565-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-02 EP disclosed
WO-2000050427-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-08-31 WO disclosed