SCHEMBL29418293

SCHEMBL29418293

CN(C)c1ccc2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.61
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 2/20 0.60
ATM Q13315 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.59
EGFR P00533 1/20 0.58
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL826341 1.00 DOT1L (0.61) DOT1LALDH1A1NPC1MAPTRAB9A
Methane SCHEMBL29050649 0.98 DOT1L (0.59) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL270025 0.86 TERT (0.59) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL2163814 0.85 NPC1 (0.72) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL27669172 0.84 MAPT (0.48) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL17335810 0.82 DOT1L (0.63) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL19970705 0.81 MAPT (0.73) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL483760 0.81 MAPT (0.62) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL2682105 0.81 MAPT (0.73) DOT1LALDH1A1NPC1MAPTRAB9A
SCHEMBL16248321 0.80 DOT1L (0.61) DOT1LALDH1A1NPC1MAPTRAB9A

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-110437147-B Hypochlorous acid two-photon fluorescence probe HCP and preparation method and application thereof 南京师范大学 2022-03-08 CN claimed
CN-110437147-B Hypochlorous acid two-photon fluorescence probe HCP and preparation method and application thereof 南京师范大学 2022-03-08 CN disclosed