SCHEMBL8422380

SCHEMBL8422380

CCCSc1nc2ccc(SC(F)F)cc2c(=O)n1CCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DHFR P00374 1/20 0.39

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 0.87 TDP1 (0.51) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8423016 0.81 TDP1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8424708 0.81 TDP1 (0.46) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8423977 0.80 TDP1 (0.51) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL7984370 0.80 TDP1 (0.51) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8425981 0.79 USP2 (0.42) ALDH1A1L3MBTL1LMNASMN1; SMN2TSHR
SCHEMBL8426424 0.78 TDP1 (0.43) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL9027995 0.77 TDP1 (0.73) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8651483 0.72 TDP1 (0.43) TDP1ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5712377 0.72 ALDH1A1 (0.52) TDP1ALDH1A1LMNASMN1; SMN2NPSR1

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