SCHEMBL28836740

SCHEMBL28836740

C=C(c1ccc(Cl)cc1)n1nnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.68
MGAM O43451 10/20 0.52
AMY1A P0DUB6 10/20 0.52
GAA P10253 10/20 0.52
SI P14410 10/20 0.52
MGAM2 Q2M2H8 10/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
DGAT1 O75907 1/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
KMT2A Q03164 2/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
SLC9A1 P19634 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL29728234 1.00 F12 (0.68) F12MGAMAMY1AGAASI
SCHEMBL28952648 0.87 GAA (0.65) F12MGAMAMY1AGAASI
SCHEMBL29728232 0.87 GAA (0.65) F12MGAMAMY1AGAASI
SCHEMBL29728237 0.84 GAA (0.68) F12MGAMAMY1AGAASI
SCHEMBL28836691 0.84 GAA (0.68) F12MGAMAMY1AGAASI
SCHEMBL28836588 0.84 MGAM (0.52) F12MGAMAMY1AGAASI
SCHEMBL28836685 0.84 MGAM (0.68) F12MGAMAMY1AGAASI
SCHEMBL29728231 0.84 MGAM (0.68) F12MGAMAMY1AGAASI
SCHEMBL29728226 0.84 MGAM (0.52) F12MGAMAMY1AGAASI
SCHEMBL29728233 0.84 F12 (0.52) 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