SCHEMBL28601244

SCHEMBL28601244

Nc1ccc2c(c1)=NCN=2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAOA P21397 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
F2 P00734 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KDR P35968 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4653979 0.67 MEN1 (0.33) MEN1KMT2AMAOALMNAHTT
SCHEMBL13391693 0.65 MEN1 (0.32) MEN1KMT2AMAOALMNAHTT
SCHEMBL28481228 0.64 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL4610872 0.63 NPC1 (0.39) MEN1KMT2AMAOALMNAHTT
SCHEMBL382451 0.63 NPC1 (0.35) MEN1KMT2AMAOALMNAHTT
Water SCHEMBL11162060 0.62 NPC1 (0.34) MEN1KMT2AMAOALMNAHTT
SCHEMBL29367325 0.56 ALDH1A1 (0.77) MEN1KMT2AMAOALMNAHTT
SCHEMBL145891 0.56 ALDH1A1 (0.77) MEN1KMT2AMAOALMNAHTT
SCHEMBL320609 0.55 MEN1 (1.00) MEN1KMT2ALMNAACHEALDH1A1
SCHEMBL27981 0.55

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-112973456-B Two-dimensional metal organic framework nanosheet film, and preparation method and application thereof 中国科学院大连化学物理研究所 2022-05-10 CN disclosed
CN-112973456-A Two-dimensional metal organic framework nanosheet film, and preparation method and application thereof 中国科学院大连化学物理研究所 2021-06-18 CN disclosed