SCHEMBL8692136

SCHEMBL8692136

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(Cl)ncc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
POLB P06746 2/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 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
SCHEMBL7843532 0.89 ADRB2 (0.54) ADRB2POLBELANEKMT2ATOP2A
SCHEMBL8698870 0.86 POLB (0.38) ADRB2POLBELANEALDH1A1TDP1
SCHEMBL7840741 0.85 ADRB2 (0.34) ADRB2POLBALDH1A1CHRM2CHRM1
SCHEMBL7851034 0.83 ALDH1A1 (0.50) POLBALDH1A1CHRM2CHRM1OPRM1
SCHEMBL8696129 0.83 ADRB2 (0.44) ADRB2POLBALDH1A1TDP1KMT2A
SCHEMBL12836412 0.82 ADRB2 (0.49) ADRB2ELANEALDH1A1TDP1KMT2A
SCHEMBL8693474 0.82 TDP1 (0.54) POLBALDH1A1TDP1KMT2ALMNA
SCHEMBL12836620 0.82 ADRB2 (0.50) ADRB2ELANETDP1KMT2ATOP2A
SCHEMBL22774039 0.81 ADRB2 (0.45) ADRB2POLBELANEALDH1A1KMT2A
SCHEMBL12836413 0.81 ADRB2 (0.48) ADRB2ELANETDP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed