SCHEMBL28836741

SCHEMBL28836741

C=C(c1ccc(OC)cc1)n1nnc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.71
AMY1A P0DUB6 7/20 0.71
GAA P10253 7/20 0.71
SI P14410 7/20 0.71
MGAM2 Q2M2H8 7/20 0.71
F12 P00748 4/20 0.71
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
KMT2A Q03164 6/20 0.49

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
SCHEMBL29728228 1.00 MGAM (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL29728226 0.84 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL28836588 0.84 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL28836684 0.83 SMN1; SMN2 (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL28952648 0.83 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL29728232 0.83 GAA (0.65) MGAMAMY1AGAASIMGAM2
SCHEMBL2494948 0.83 MGAM (1.00) MGAMAMY1AGAASIMGAM2
SCHEMBL29728242 0.81 KMT2A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL28836692 0.81 KMT2A (0.57) MGAMAMY1AGAASIMGAM2
SCHEMBL29728237 0.81 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