SCHEMBL28836733

SCHEMBL28836733

C=C(c1cccc(Cl)c1)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.52
MGAM O43451 11/20 0.51
AMY1A P0DUB6 11/20 0.51
GAA P10253 11/20 0.51
SI P14410 11/20 0.51
MGAM2 Q2M2H8 11/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 3/20 0.50
FAAH O00519 3/20 0.50
MGLL Q99685 3/20 0.50
HPGD P15428 2/20 0.50
F2 P00734 1/20 0.50
SLC9A1 P19634 1/20 0.50
DGAT1 O75907 1/20 0.47
LMNA P02545 1/20 0.43

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
SCHEMBL29728233 1.00 F12 (0.52) F12MGAMAMY1AGAASI
SCHEMBL29728234 0.84 F12 (0.68) F12MGAMAMY1AGAASI
SCHEMBL28836740 0.84 F12 (0.68) F12MGAMAMY1AGAASI
SCHEMBL28952648 0.83 GAA (0.65) F12MGAMAMY1AGAASI
SCHEMBL29728232 0.83 GAA (0.65) F12MGAMAMY1AGAASI
SCHEMBL29728238 0.83 KMT2A (0.71) F12MGAMAMY1AGAASI
SCHEMBL28836645 0.83 KMT2A (0.71) F12MGAMAMY1AGAASI
SCHEMBL28836634 0.83 MGAM (0.71) F12MGAMAMY1AGAASI
SCHEMBL29728230 0.83 MGAM (0.71) F12MGAMAMY1AGAASI
SCHEMBL28836743 0.75 DGAT1 (0.51) F12MGAMAMY1AGAASI

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
CN-114874141-B Synthesis method for constructing phenanthridine compounds by ring-opening cyclization of alkenyl benzotriazole under catalysis of visible light 河南大学 2024-03-29 CN disclosed
CN-114874141-A Synthesis method for constructing phenanthridine compound through ring-opening cyclization of alkenyl benzotriazole under catalysis of visible light 河南大学 2022-08-09 CN disclosed