SCHEMBL29435141

SCHEMBL29435141

O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3c(N4c5ccccc5Sc5ccccc54)ccc4ccc1c2c43

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 12/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ACHE P22303 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL28642327 1.00 BCHE (0.36) BCHEHDAC6ACHEGAAMAPT
SCHEMBL29435145 0.97 BCHE (0.36) BCHEHDAC6ACHEGAAMAPT
SCHEMBL9927201 0.80 CYP1A2 (0.41) ACHEMAPTMAOAMEN1KMT2A
SCHEMBL11991091 0.80 CYP1A2 (0.41) ACHEMAPTMAOAMEN1KMT2A
SCHEMBL19367113 0.76 HDAC6 (0.41) BCHEHDAC6ACHEGAAMAPT
SCHEMBL2901666 0.76 CYP1A2 (0.47) ACHEMAPTMAOAMEN1KMT2A
SCHEMBL30892130 0.76 CYP1A2 (0.47) ACHEMAPTMAOAMEN1KMT2A
SCHEMBL31746135 0.75 MAOA (0.37) BCHEHDAC6ACHEMAPTMAOA
SCHEMBL29400838 0.75 NPSR1 (0.41) ACHEMAOAL3MBTL1
SCHEMBL28448108 0.75 NPSR1 (0.41) ACHEMAOAL3MBTL1

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-113416329-B Preparation method and application of high-temperature multi-threshold temperature indicating film with fluorescence changing in multiple colors visible to naked eyes 南京邮电大学 2022-03-11 — — CN claimed
CN-113416329-B Preparation method and application of high-temperature multi-threshold temperature indicating film with fluorescence changing in multiple colors visible to naked eyes 南京邮电大学 2022-03-11 — — CN disclosed
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