SCHEMBL29151024

SCHEMBL29151024

Cc1ccccc1CNc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BRD4 O60885 2/20 0.47
BRD9 Q9H8M2 1/20 0.47
KAT2B Q92831 1/20 0.44
CHRM2 P08172 1/20 0.44
MAP4K4 O95819 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 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
SCHEMBL18761547 0.84 MAPT (0.70) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9746628 0.82 BACE1 (0.62) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL23177978 0.80 MAPT (0.48) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL23144800 0.80 MAPT (0.48) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL23144876 0.80 PPARG (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL23144861 0.78 MAPT (0.51) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5270464 0.78 CA12 (0.75) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL688010 0.78 MAPT (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5626734 0.77 L3MBTL1 (0.67) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28463602 0.76 LMNA (0.55) MAPTALDH1A1HTTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466925-A Boron-nitrogen doped conjugated polycyclic aromatic hydrocarbon compound and synthetic method and application thereof 山东大学深圳研究院 2024-01-30 CN disclosed