SCHEMBL9148367

SCHEMBL9148367

Nc1c(F)cc(Cl)c2nc(Cl)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
NTRK1 P04629 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 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
Hydrochloric Acid SCHEMBL9147162 0.98 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1AURKADAPK3PRKD3
SCHEMBL8312415 0.84 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTCA1
SCHEMBL8688647 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1AURKADAPK3PRKD3
SCHEMBL8334566 0.83 TLR8 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTCA1
SCHEMBL8329490 0.79 TLR8 (0.40) SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL8331898 0.79 KDR (0.36) SMN1; SMN2ALDH1A1
SCHEMBL8310400 0.79 MAPT (0.36) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL9145807 0.78 MAPT (0.40) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E
SCHEMBL8333788 0.77 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8312356 0.76 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1LMNAMAPTKDM4E

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-5424443-A Substituted benzothiazole derivatives, their preparation and use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
EP-0583353-A1 SUBSTITUTED BENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-23 EP disclosed
WO-1992020675-A1 SUBSTITUTED BENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed