SCHEMBL9536653

SCHEMBL9536653

Cc1cccc2nc3sc(Cl)cn3c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.40
PARP1 P09874 2/20 0.40
PIK3CD O00329 3/20 0.39
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.36
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASR P41180 1/20 0.36
PIK3CG P48736 1/20 0.35
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
SCHEMBL9770718 0.86 KDM4E (0.45) ELANEPARP1PIK3CDPTGS2NPC1
SCHEMBL9533212 0.86 PARP1 (0.40) ELANEPARP1PIK3CDPTGS2DHODH
SCHEMBL10695218 0.83 ELANE (0.40) ELANEPARP1PIK3CDNPC1LMNA
SCHEMBL9535344 0.83 ELANE (0.43) ELANEPTGS2MAPT
SCHEMBL9536487 0.83 PTGS2 (0.36) ELANEPARP1PTGS2NPC1LMNA
SCHEMBL9770716 0.78 PARP1 (0.44) ELANEPARP1PTGS2DHODHTP53
SCHEMBL9533044 0.75 ELANE (0.40) ELANEPARP1PIK3CDPTGS2DHODH
SCHEMBL9535141 0.74 CYP1A2 (0.50) ELANEPARP1PIK3CDNPC1LMNA
SCHEMBL9770658 0.72 KDM4E (0.46) PARP1PTGS2TP53MAPTSMN1; SMN2
SCHEMBL9770643 0.72 ELANE (0.39) ELANEPARP1PIK3CDMAPTSMN1; SMN2

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 3 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
US-5030727-A Reacting an anthronilide derivative with a thiazole derivative or a fluorozuinazolone with a neucleophile BASF AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed