SCHEMBL8426424

SCHEMBL8426424

CCCOc1nc2ccc(SSc3ccc4nc(SCCC)n(CCC)c(=O)c4c3)cc2c(=O)n1CCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 3/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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 0.91 USP2 (0.46) LMNAL3MBTL1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL8424795 0.89 TDP1 (0.51) TDP1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL8422870 0.84 USP2 (0.44) LMNAL3MBTL1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL8519905 0.79 USP2 (0.42) TDP1LMNAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8425981 0.79 USP2 (0.42) LMNAL3MBTL1SMN1; SMN2ALDH1A1USP2
SCHEMBL8422380 0.78 TDP1 (0.49) TDP1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL7984370 0.76 TDP1 (0.51) TDP1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL8423977 0.76 TDP1 (0.51) TDP1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL192788 0.76 TP53 (0.51) LMNASMN1; SMN2ALDH1A1USP2TP53
SCHEMBL7643515 0.76 USP2 (0.47) LMNAL3MBTL1SMN1; SMN2NPSR1ALDH1A1

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