SCHEMBL9682831

SCHEMBL9682831

COc1nccc(Cl)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PDE4D Q08499 1/20 0.41
PRMT5 O14744 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL9682836 0.81 LMNA (0.45) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL17597879 0.80 POLB (0.45) HTR1AADRA1DADRA1AADRA1BMEN1
Hydrochloric Acid SCHEMBL10371366 0.79 LMNA (0.44) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL23723810 0.78 ACACB (0.46) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL30014456 0.78 ACACB (0.46) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL23209324 0.78 LTA4H (0.54) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL21295168 0.74 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL14514408 0.72 LTA4H (0.60) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL10201417 0.72 APP (0.47) HTR1AADRA1DADRA1AADRA1BSMN1; SMN2
SCHEMBL1793473 0.72 KMT2A (0.51) MEN1KMT2AALOX5APFEN1HPD

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
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed