SCHEMBL28823671

SCHEMBL28823671

O=C1c2ccccc2OCCN1CC1=CO1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.48
▸ WDR77 Q9BQA1 3/20 0.48
▸ ROCK2 O75116 7/20 0.39
▸ ROCK1 Q13464 6/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TNIK Q9UKE5 3/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL11985664 0.84 PRMT5 (0.49) PRMT5WDR77ROCK2ROCK1MAPK1
SCHEMBL38653482 0.80 PRMT5 (0.51) PRMT5WDR77KCNH2KMT2APKM
SCHEMBL23160605 0.75 PRMT5 (0.47) PRMT5WDR77ROCK2ROCK1TNIK
SCHEMBL23160686 0.75 PRMT5 (0.47) PRMT5WDR77ROCK2ROCK1TNIK
SCHEMBL9368923 0.75 PRMT5 (0.47) PRMT5WDR77SCN1ASCN4AKCNH2
SCHEMBL31033174 0.74 PRMT5 (0.49) PRMT5WDR77KMT2A
SCHEMBL9023866 0.74 PRMT5 (0.46) PRMT5WDR77KMT2APKMTSHR
SCHEMBL9024811 0.73 PRMT5 (0.46) PRMT5WDR77KMT2A
SCHEMBL29877570 0.73 ROCK2 (0.70) ROCK2ROCK1TNIK
SCHEMBL16546168 0.71 PKM (0.44) PRMT5WDR77KMT2APKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929691-A Bicyclic compounds and uses thereof 爱思开生物制药株式会社 2022-08-19 — — CN disclosed
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