SCHEMBL25644484

SCHEMBL25644484

O=C1NCCc2c1ccnc2-c1cccc2c1CCO2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.46
▸ PARP10 Q53GL7 10/20 0.46
▸ PARP11 Q9NR21 10/20 0.46
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TRPM2 O94759 1/20 0.36
▸ PARP15 Q460N3 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ TIPARP Q7Z3E1 1/20 0.35
▸ PARP16 Q8N5Y8 1/20 0.35

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
SCHEMBL12463566 0.75 ACHE (0.50) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL27340828 0.72 PARP10 (0.54) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL16097877 0.66 PARP10 (0.49) PARP1PARP10PARP11PDPK1
SCHEMBL31749685 0.66 PARP10 (0.54) PARP1PARP10PARP11GSK3BPDPK1
SCHEMBL19153427 0.66 PARP10 (0.57) PARP1PARP10PARP11PDPK1ACHE
SCHEMBL29463796 0.65 FABP6 (0.60) PARP1PARP10PARP11GSK3BPDPK1
SCHEMBL352852 0.65 FABP6 (0.60) PARP1PARP10PARP11GSK3BPDPK1
SCHEMBL2260720 0.65 GSK3A (0.41) GSK3AGSK3B
SCHEMBL30229191 0.65 FABP6 (0.44) GSK3B
SCHEMBL15330821 0.65 PARP1 (0.60) PARP1PARP10PARP11PDPK1ACHE

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
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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