SCHEMBL28256286

SCHEMBL28256286

Nc1ncnc(N2CCCCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAP4K4 O95819 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BTK Q06187 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
Hydrochloric Acid SCHEMBL28169526 0.98 ALDH1A1 (0.43) ALDH1A1MAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL28220128 0.98 ALDH1A1 (0.41) ALDH1A1MAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL29582269 0.98 ALDH1A1 (0.41) ALDH1A1MAP4K4SMN1; SMN2NPC1RAB9A
SCHEMBL9029494 0.85 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13076946 0.81 HRH3 (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL30567821 0.81 HRH4 (0.56)
SCHEMBL254934 0.81 PIK3CA (0.56) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL13076949 0.81 HRH4 (0.37) KMT2AHTTBTK
SCHEMBL30165732 0.81 PIK3CA (0.56) ALDH1A1KMT2AKDM4EGLAGAA
SCHEMBL27262472 0.77 MAP4K4 (0.52) MAP4K4NPC1RAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819363-B Ketone amide compound and preparation method and application thereof 浙江工业大学 2025-04-01 CN disclosed
CN-115974879-B Preparation method of polysubstituted imidazo heterocyclic compound 浙江工业大学 2024-03-26 CN disclosed
CN-115974879-A Preparation method of polysubstituted imidazo heterocyclic compound 浙江工业大学 2023-04-18 CN disclosed
CN-115819363-A Ketone amide compound and preparation method and application thereof 浙江工业大学 2023-03-21 CN disclosed
CN-115745902-A Preparation method of N-triazine amide compound 浙江工业大学 2023-03-07 CN disclosed
CN-113603694-B 1, 2-diketone compound and preparation method and application thereof 浙江工业大学 2022-07-22 CN disclosed
CN-113444095-B Triazine substituted imidazole compound and preparation method and application thereof 浙江工业大学 2022-05-24 CN disclosed
CN-113603694-A 1, 2-diketone compound and preparation method and application thereof 浙江工业大学 2021-11-05 CN disclosed
CN-113444095-A Triazine substituted imidazole compound and preparation method and application thereof 浙江工业大学 2021-09-28 CN disclosed
CN-108794414-B Aromatic amido substituted s-triazine compound, preparation and application thereof 浙江大学 2021-01-01 CN disclosed
CN-108794488-B Aryl-substituted triazole-containing fused heterocyclic compound and preparation and application thereof 浙江大学 2020-09-01 CN disclosed
CN-107129499-B Fused heterocycle compounds of imidazole ring-containing and its preparation method and application 浙江工业大学 2019-04-09 CN disclosed
CN-108794414-A The s-triazine compound of aromatic amide substitution and preparation and application 浙江大学 2018-11-13 CN disclosed