SCHEMBL31473182

SCHEMBL31473182

Nc1ccc2nc3cc(N)ccc3cc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.82
LMNA P02545 2/20 0.82
HTT P42858 2/20 0.82
ACHE P22303 2/20 0.82
MEN1 O00255 2/20 0.82
F2 P00734 1/20 0.82
CHRM2 P08172 1/20 0.82
HTR1A P08908 1/20 0.82
ADRA2A P08913 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
MAOA P21397 1/20 0.82
DRD1 P21728 1/20 0.82
PTGS1 P23219 1/20 0.82
SLC6A2 P23975 1/20 0.82
SLC6A4 P31645 1/20 0.82
OPRM1 P35372 1/20 0.82
DRD3 P35462 1/20 0.82
KDR P35968 1/20 0.82
SLC6A3 Q01959 1/20 0.82
KCNH2 Q12809 1/20 0.82

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
SCHEMBL5394789 1.00 KMT2A (0.82) KMT2ALMNAHTTACHEMEN1
SCHEMBL1230212 0.91 KMT2A (0.64) KMT2ALMNAHTTACHEMEN1
SCHEMBL29711628 0.91 KMT2A (0.64) KMT2ALMNAHTTACHEMEN1
Proflavine SCHEMBL29600097 0.91 KMT2A (1.00) KMT2ALMNAHTTACHEMEN1
Proflavine SCHEMBL27386 0.91 KMT2A (1.00) KMT2ALMNAHTTACHEMEN1
Proflavine SCHEMBL10380090 0.88 KMT2A (0.95) KMT2ALMNAHTTACHEMEN1
Proflavine SCHEMBL865664 0.88 KMT2A (0.95) KMT2ALMNAHTTACHEMEN1
Proflavine SCHEMBL664629 0.88 KMT2A (0.95) KMT2ALMNAHTTACHEMEN1
SCHEMBL11056189 0.86 LMNA (0.67) KMT2ALMNAHTTACHEMEN1
SCHEMBL11702937 0.86 LMNA (0.67) KMT2ALMNAHTTACHEMEN1

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-119390650-A Preparation method of diamine monomer containing acridone unit 东华大学 2025-02-07 CN disclosed