SCHEMBL9212583

SCHEMBL9212583

O=C1c2cccnc2C(=O)N1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GFER P55789 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
STAT3 P40763 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL16835777 0.92 ALDH1A1 (0.85) ALDH1A1ADRA1DADRA1AADRA1BMEN1
SCHEMBL2653818 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL23967443 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL30987468 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10HTT
SCHEMBL20986755 0.79 ALDH1A1 (0.64) ALDH1A1ADRA1DADRA1AADRA1BMEN1
SCHEMBL18935574 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AHSD17B10TDP1SMN1; SMN2
SCHEMBL31350617 0.77 ALDH1A1 (0.62) ALDH1A1ADRA1DADRA1AADRA1BACHE
SCHEMBL6360046 0.75 ALDH1A1 (0.58) ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL6360042 0.75 ALDH1A1 (0.58) ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL10261468 0.74 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHSD17B10STAT3

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
EP-0422456-B1 Pyridine derivatives and their use in combating unwanted plant growth BASF AG (DE) 1995-05-03 EP claimed