SCHEMBL28836588

SCHEMBL28836588

C=C(c1ccc(C)cc1)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 12/20 0.52
AMY1A P0DUB6 12/20 0.52
GAA P10253 12/20 0.52
SI P14410 12/20 0.52
MGAM2 Q2M2H8 12/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DGAT1 O75907 1/20 0.51
KMT2A Q03164 3/20 0.50
SLC9A1 P19634 2/20 0.50
MAPT P10636 2/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
F12 P00748 6/20 0.49
MIF P14174 1/20 0.46

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
SCHEMBL29728226 1.00 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL29728232 0.87 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL28952648 0.87 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL28836692 0.85 KMT2A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL29728241 0.85 KMT2A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL29728242 0.85 KMT2A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL28836691 0.84 GAA (0.68) MGAMAMY1AGAASIMGAM2
SCHEMBL28836685 0.84 MGAM (0.68) MGAMAMY1AGAASIMGAM2
SCHEMBL28836740 0.84 F12 (0.68) MGAMAMY1AGAASIMGAM2
SCHEMBL29728237 0.84 GAA (0.68) MGAMAMY1AGAASIMGAM2

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