SCHEMBL28836639

SCHEMBL28836639

C=C(c1ccc(CC)cc1)n1nnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.47
▸ MGAM O43451 8/20 0.47
▸ AMY1A P0DUB6 8/20 0.47
▸ GAA P10253 8/20 0.47
▸ SI P14410 8/20 0.47
▸ MGAM2 Q2M2H8 8/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SLC9A1 P19634 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ F12 P00748 5/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29728229 1.00 DGAT1 (0.47) DGAT1MGAMAMY1AGAASI
SCHEMBL29728226 0.84 MGAM (0.52) DGAT1MGAMAMY1AGAASI
SCHEMBL28836588 0.84 MGAM (0.52) DGAT1MGAMAMY1AGAASI
SCHEMBL29728232 0.83 GAA (0.65) DGAT1MGAMAMY1AGAASI
SCHEMBL28952648 0.83 GAA (0.65) DGAT1MGAMAMY1AGAASI
SCHEMBL29728242 0.81 KMT2A (0.57) DGAT1MGAMAMY1AGAASI
SCHEMBL29728231 0.81 MGAM (0.68) DGAT1MGAMAMY1AGAASI
SCHEMBL28836740 0.81 F12 (0.68) DGAT1MGAMAMY1AGAASI
SCHEMBL28836685 0.81 MGAM (0.68) DGAT1MGAMAMY1AGAASI
SCHEMBL28836691 0.81 GAA (0.68) DGAT1MGAMAMY1AGAASI

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
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