SCHEMBL9770643

SCHEMBL9770643

O=c1c2c(Cl)cccc2nc2sc(Br)cn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
PARP1 P09874 2/20 0.38
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIK3CD O00329 3/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PIK3R2 O00459 1/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9533212 0.86 PARP1 (0.40) ELANEPARP1MAPTPOLBRXFP1
SCHEMBL9770716 0.83 PARP1 (0.44) ELANEPARP1MAPTPOLBRXFP1
SCHEMBL10695218 0.83 ELANE (0.40) ELANEPARP1MAPTPIK3CDPIK3CG
SCHEMBL10696348 0.80 PDE10A (0.43) ELANEPARP1MAPTPOLBRXFP1
SCHEMBL10696794 0.77 KDM4E (0.49) MAPTPOLBRXFP1KDM4EMEN1
SCHEMBL9534833 0.74 CYP1A2 (0.50) ELANEPARP1MAPTMEN1ALDH1A1
SCHEMBL10696516 0.73 PARP1 (0.43) ELANEPARP1MAPTPOLBRXFP1
SCHEMBL9536653 0.72 ELANE (0.40) ELANEPARP1MAPTPIK3CDPIK3CG
SCHEMBL9533229 0.71 PARP1 (0.40) ELANEPARP1MAPTPOLBRXFP1
SCHEMBL9535817 0.69 PARP1 (0.44) ELANEPARP1MAPTPOLBRXFP1

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
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