SCHEMBL30668491

SCHEMBL30668491

Nc1cnc2cc(N)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 2/20 0.60
F2 P00734 1/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAOA P21397 1/20 0.60
DRD1 P21728 1/20 0.60
ACHE P22303 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
KDR P35968 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL10979440 1.00 MEN1 (0.60) MEN1KMT2AHTTLMNAF2
SCHEMBL11162210 0.84 EGFR (0.61) MEN1KMT2AHTTLMNAF2
SCHEMBL30503636 0.84 EGFR (0.61) MEN1KMT2AHTTLMNAF2
SCHEMBL4728808 0.81 PDGFRB (0.54) MEN1KMT2AHTTLMNAF2
SCHEMBL4159996 0.81 PDGFRB (0.51) MEN1KMT2AHTTLMNAF2
SCHEMBL7882970 0.81 ESR2 (0.59) MEN1KMT2AHTTLMNAF2
SCHEMBL4539841 0.81 KDM4E (0.52) MEN1KMT2AHTTLMNAF2
SCHEMBL31378776 0.81 ALDH1A1 (0.50) MEN1KMT2ALMNAEGFRPLAU
SCHEMBL25214404 0.81 HTT (0.54) MEN1KMT2AHTTLMNAF2
SCHEMBL3353059 0.81 HTT (0.54) MEN1KMT2AHTTLMNAF2

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
CN-117120086-A Compositions and methods for cancer diagnosis AOA DX公司 2023-11-24 CN disclosed