SCHEMBL8423977

SCHEMBL8423977

CCCSc1nc2ccc(O)cc2c(=O)n1CCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APLNR P35414 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8424795 0.85 TDP1 (0.51) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL7984370 0.85 TDP1 (0.51) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL9027995 0.82 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL8422380 0.80 TDP1 (0.49) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL8423016 0.79 TDP1 (0.46) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL8424708 0.79 TDP1 (0.46) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL8651483 0.78 TDP1 (0.43) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL8426424 0.76 TDP1 (0.43) TDP1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL5712377 0.76 ALDH1A1 (0.52) TDP1ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL7100456 0.72 DHFR (0.43) ALDH1A1SMN1; SMN2NPSR1LMNAKDM4E

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