SCHEMBL29139211

SCHEMBL29139211

c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nnco2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ NOTUM Q6P988 12/20 0.56
▸ TLR8 Q9NR97 1/20 0.50
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL10064524 0.86 NOTUM (0.50) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL10042664 0.83 NOTUM (0.44) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL22369845 0.80 KDM4E (0.53) KDM4EALDH1A1MAPTATML3MBTL1
SCHEMBL17125593 0.79 KDM4E (0.52) KDM4EALDH1A1MAPTATML3MBTL1
SCHEMBL404737 0.78 NPC1 (0.57) KDM4EALDH1A1MAPTNOTUMATM
SCHEMBL29374218 0.78 NPC1 (0.57) KDM4EALDH1A1MAPTNOTUMATM
SCHEMBL17125511 0.76 NOTUM (0.68) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL10064983 0.76 NPC1 (0.55) KDM4EALDH1A1MAPTNOTUMATM
SCHEMBL16674360 0.75 L3MBTL1 (0.73) KDM4EALDH1A1MAPTHTTATM
SCHEMBL20493956 0.75 L3MBTL1 (0.73) KDM4EALDH1A1MAPTHTTATM

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-117355158-A Single-component electrochromic OLED device and preparation method thereof 南京邮电大学 2024-01-05 — — CN claimed
CN-117355158-A Single-component electrochromic OLED device and preparation method thereof 南京邮电大学 2024-01-05 — — CN disclosed
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