SCHEMBL28836634

SCHEMBL28836634

C=C(c1cccc(C)c1)n1nnc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.71
AMY1A P0DUB6 9/20 0.71
GAA P10253 9/20 0.71
SI P14410 9/20 0.71
MGAM2 Q2M2H8 9/20 0.71
KMT2A Q03164 3/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
SLC9A1 P19634 1/20 0.50
DGAT1 O75907 1/20 0.47
F12 P00748 5/20 0.45
ELANE P08246 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL29728230 1.00 MGAM (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL29728226 0.84 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL28836588 0.84 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL28952648 0.83 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL29728232 0.83 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL14880255 0.83 MGAM (1.00) MGAMAMY1AGAASIMGAM2
SCHEMBL29728233 0.83 F12 (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL29728238 0.83 KMT2A (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL28836733 0.83 F12 (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL28836645 0.83 KMT2A (0.71) 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