SCHEMBL31012419

SCHEMBL31012419

Cc1c(O)c(O)cc2c1CCNC2=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.54
▸ PARP1 P09874 6/20 0.50
▸ PARP10 Q53GL7 15/20 0.49
▸ PARP11 Q9NR21 14/20 0.49
▸ PARP15 Q460N3 1/20 0.42
▸ PARP14 Q460N5 1/20 0.42
▸ TIPARP Q7Z3E1 1/20 0.42
▸ PARP16 Q8N5Y8 1/20 0.42

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
SCHEMBL24136723 1.00 ACHE (0.54) ACHEPARP1PARP10PARP11PARP15
SCHEMBL14842620 0.80 ACHE (0.54) ACHEPARP1PARP10PARP11
SCHEMBL30466437 0.77 PARP10 (0.42) ACHEPARP1PARP10PARP11
SCHEMBL24136591 0.77 PARP10 (0.42) ACHEPARP1PARP10PARP11
SCHEMBL30466416 0.72 ACHE (0.43) ACHEPARP1PARP10PARP11
SCHEMBL24136677 0.72 ACHE (0.43) ACHEPARP1PARP10PARP11
SCHEMBL10129821 0.70 ACHE (0.50) ACHEPARP1PARP10PARP11
SCHEMBL30402278 0.70 ACHE (0.50) ACHEPARP1PARP10PARP11
SCHEMBL24136646 0.69 KDM4E (0.56) ACHEPARP1PARP10PARP11
SCHEMBL29600821 0.69 KDM4E (0.56) ACHEPARP1PARP10PARP11

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-113423710-B Novel heterocyclic tricyclic derivative compounds and use thereof 韩美药品株式会社 2024-06-14 — — CN disclosed
Send feedback