SCHEMBL10375231

SCHEMBL10375231

CC(=O)c1ccc(-c2ccncc2)c(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
CYP46A1 Q9Y6A2 1/20 0.42
ADORA2B P29275 2/20 0.40
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
MAPK14 Q16539 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP1 P29466 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HTT P42858 1/20 0.37
BTK Q06187 1/20 0.36
JAK2 O60674 3/20 0.36

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
SCHEMBL27996934 0.83 CCNC (0.55) CCNCCDK8NPC1MAPTRAB9A
SCHEMBL6998722 0.76 ADORA2B (0.43) CCNCCDK8CYP46A1ADORA2BNPC1
SCHEMBL9208056 0.73 ALDH1A1 (0.58) CYP46A1CSNK1A1CSNK1DCLK2CSNK1G1
SCHEMBL19229926 0.72 CYP46A1 (0.69) CCNCCDK8CYP46A1CSNK1A1CSNK1D
SCHEMBL10965370 0.72 MKNK2 (0.48) SMN1; SMN2CASP1JAK2JAK1TYK2
SCHEMBL2645320 0.71 MAPK14 (0.54) CYP46A1ADORA2BMAPK14MAPTAKR1C3
SCHEMBL10376115 0.71 MAPK14 (0.38) CCNCCDK8CSNK1A1CSNK1DCLK2
SCHEMBL10966709 0.71 AKR1C3 (0.46) CCNCCDK8CYP46A1MAPK14MAPT
SCHEMBL28228315 0.69 CCNC (0.44) CCNCCDK8CSNK1DCLK2NPC1
SCHEMBL1395221 0.69 ALDH1A1 (0.46) CCNCCDK8CYP46A1ADORA2BCSNK1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162333-B1 QUINO-BENZOTHIAZINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-06-27 EP disclosed
EP-0162333-A1 Quino-benzothiazine antibacterial compounds ABBOTT LABORATORIES (US) 1985-11-27 EP disclosed
US-4540694-A 1-Pyridine substituted quino-benoxazines and antibacterial use ABBOTT LABORATORIES (US) 1985-09-10 US disclosed
US-4529725-A 1-Pyridine substituted quino-benzothiazine ABBOTT LABORATORIES (US) 1985-07-16 US disclosed