SCHEMBL8329430

SCHEMBL8329430

Nc1c(Cl)cc(Cl)c2ncsc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
GAA P10253 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL31394398 0.72 HPGD (0.36)
SCHEMBL25423246 0.72 GAA (0.34) GAA
SCHEMBL8333644 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8688647 0.68 SMN1; SMN2 (0.41) ALDH1A1CYP3A4GAADYRK1A
SCHEMBL25421008 0.66
SCHEMBL8331881 0.65 TLR8 (0.39) ALDH1A1CYP3A4GAA
SCHEMBL25424378 0.65 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL31178580 0.64 CA1 (0.33) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16091775 0.64 POLB (0.34) PI4KAPI4K2BPI4K2API4KB
SCHEMBL16334582 0.64 DYRK1A (0.31) DYRK1A

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
US-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
EP-0862569-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997008171-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed