SCHEMBL28836692

SCHEMBL28836692

C=C(c1ccc(C(C)=O)cc1)n1nnc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 11/20 0.55
MGAM O43451 10/20 0.55
AMY1A P0DUB6 10/20 0.55
SI P14410 10/20 0.55
MGAM2 Q2M2H8 10/20 0.55
F2 P00734 2/20 0.55
SLC9A1 P19634 1/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
F12 P00748 5/20 0.54
DGAT1 O75907 1/20 0.49
KCNMA1 Q12791 1/20 0.48
USP2 O75604 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
SCHEMBL29728242 1.00 KMT2A (0.57) KMT2AMAPTHPGDALOX15HSD17B10
SCHEMBL29728241 1.00 KMT2A (0.57) KMT2AMAPTHPGDALOX15HSD17B10
SCHEMBL28836588 0.85 MGAM (0.52) KMT2AMAPTHPGDHSD17B10GAA
SCHEMBL29728226 0.85 MGAM (0.52) KMT2AMAPTHPGDHSD17B10GAA
SCHEMBL28836684 0.85 SMN1; SMN2 (0.57) KMT2AMAPTHPGDGAAMGAM
SCHEMBL28952648 0.84 GAA (0.65) KMT2AMAPTHPGDGAAMGAM
SCHEMBL29728232 0.84 GAA (0.65) KMT2AMAPTHPGDGAAMGAM
SCHEMBL28836740 0.82 F12 (0.68) KMT2AMAPTHPGDGAAMGAM
SCHEMBL28836685 0.82 MGAM (0.68) KMT2AMAPTHPGDGAAMGAM
SCHEMBL29728234 0.82 F12 (0.68) KMT2AMAPTHPGDGAAMGAM

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