SCHEMBL9533044

SCHEMBL9533044

Cc1cccc2nc3sc(Cl)c(Cl)n3c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.40
PARP1 P09874 2/20 0.40
PIK3CD O00329 2/20 0.39
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASR P41180 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL9533229 0.86 PARP1 (0.40) ELANEPARP1PTGS2KDM4EHPGD
SCHEMBL10696981 0.83 PARP1 (0.38) ELANEPARP1PIK3CDPTGS2KDM4E
SCHEMBL9533428 0.83 ELANE (0.43) ELANEPTGS2KDM4EHPGDHSD17B10
SCHEMBL9770665 0.80 ELANE (0.42) ELANEPARP1PIK3CDPTGS2KDM4E
SCHEMBL9535817 0.78 PARP1 (0.44) ELANEPARP1PIK3CDDHODHKDM4E
SCHEMBL10697642 0.78 ELANE (0.40) ELANEPARP1PIK3CDKDM4EHPGD
SCHEMBL9533693 0.78 ELANE (0.40) ELANEPARP1PTGS2KDM4EHPGD
SCHEMBL9536653 0.75 ELANE (0.40) ELANEPARP1PIK3CDPTGS2DHODH
SCHEMBL9532203 0.74 KDM4E (0.65) ELANEPARP1PIK3CDKDM4EHPGD
SCHEMBL10696099 0.72 PARP1 (0.44) ELANEPARP1PIK3CDPTGS2DHODH

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-0263523-B1 Process for the preparation of thiazolo [2,3-b] quinazolones BASF AG (DE) 1993-12-29 EP disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed