SCHEMBL28841411

SCHEMBL28841411

COc1ccccc1C(=O)CN1C=CN(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CTSD P07339 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CTNNB1 P35222 4/20 0.43
▸ WNT3A P56704 4/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
Bromide SCHEMBL10528574 0.99 NPC1 (0.47) NPC1KMT2AMEN1CTSDALDH1A1
Bromide SCHEMBL3850385 0.82 RAB9A (0.53) NPC1KMT2AMEN1ALDH1A1HTT
Bromide SCHEMBL10528522 0.82 KMT2A (0.47) KMT2AMEN1CTSDALDH1A1HTT
SCHEMBL29794018 0.81 ERCC5 (0.44) KMT2AHTTCTNNB1WNT3A
SCHEMBL28841331 0.81 KMT2A (0.55) NPC1KMT2AMEN1ALDH1A1HTT
Bromide SCHEMBL10529228 0.80 ERCC5 (0.43) KMT2AHTTCTNNB1WNT3A
SCHEMBL28841440 0.78 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL29793989 0.77 PDE4B (0.53) KMT2AMEN1ALDH1A1HTTCTNNB1
SCHEMBL28841328 0.77 PDE4B (0.53) KMT2AMEN1ALDH1A1HTTCTNNB1
SCHEMBL28841390 0.76 ALDH1A1 (0.44) NPC1KMT2AMEN1ALDH1A1RAB9A

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-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 — — CN disclosed
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