SCHEMBL29927359

SCHEMBL29927359

CCN1C=CC(=C(C#N)C#N)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ ALDH1A1 P00352 8/20 0.49
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 12/20 0.44
▸ MAPK1 P28482 5/20 0.43
▸ THRB P10828 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 1/20 0.32
▸ PKM P14618 2/20 0.31
▸ MGLL Q99685 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ ATM Q13315 1/20 0.30

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
SCHEMBL30725973 0.84 MEN1 (0.63) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL23233617 0.72 ALDH1A1 (0.67) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL10086948 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL20694546 0.68 ALDH1A1 (0.51) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13442388 0.68 ALDH1A1 (0.51) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL25032928 0.67 ALDH1A1 (0.49) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13113852 0.66 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL30786495 0.66 ALDH1A1 (1.00) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL29171018 0.66 ALDH1A1 (1.00) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL13113374 0.65 ALDH1A1 (0.54) MEN1KMT2AALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181098-B Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2023-04-07 — — CN claimed
CN-115181098-A Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2022-10-14 — — CN claimed
CN-115181098-B Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2023-04-07 — — CN disclosed
CN-115181098-B Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2023-04-07 — — CN disclosed
CN-115181098-A Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2022-10-14 — — CN disclosed
CN-115181098-A Mitochondria-targeted AIE (AIE) type hypochlorous acid fluorescent probe as well as preparation method and application thereof 武汉工程大学 2022-10-14 — — CN disclosed
Send feedback