SCHEMBL28374136

SCHEMBL28374136

N#CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.42
▸ MGMT P16455 1/20 0.41
▸ CYP19A1 P11511 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL9331910 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL10493567 0.78 ATP4A (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8967901 0.77 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL29805068 0.77 ALDH1A1 (0.52) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL9786038 0.75 ATP4A (0.42) MEN1KMT2AMAPTSGMS2NPC1
SCHEMBL18949407 0.75 HTT (0.58) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL10410594 0.74 POLB (0.53) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL1655496 0.74 LMNA (0.50) ALDH1A1LMNAHTTSMN1; SMN2POLB
SCHEMBL8091636 0.73 POLB (0.51) LMNAHTTSMN1; SMN2POLBMEN1
SCHEMBL1401807 0.73 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118421577-B Tyrosinase mutant and use thereof 华南理工大学 2024-10-01 — — CN disclosed
CN-118421577-A Tyrosinase mutant and use thereof 华南理工大学 2024-08-02 — — CN disclosed
CN-117924143-A Preparation method of 5, 6-dihydroxyindole 北京成宇化工有限公司 2024-04-26 — — CN disclosed
CN-112724064-A Method for preparing 5, 6-dihydroxyindole by using modified ordered mesoporous carbon supported metal catalyst 广州星业新材料有限公司 2021-04-30 — — CN disclosed
CN-110981782-A Method for efficiently preparing 5, 6-dihydroxyindole 广州星业科技股份有限公司 2020-04-10 — — CN disclosed
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