SCHEMBL29933855

SCHEMBL29933855

NC(=O)c1ccccc1OCc1cncc(-c2ncccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 7/20 0.56
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.46
▸ PARP2 Q9UGN5 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ MKNK1 Q9BUB5 2/20 0.43
▸ MKNK2 Q9HBH9 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ SGMS2 Q8NHU3 2/20 0.42
▸ SYK P43405 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
SCHEMBL31359341 0.80 MKNK1 (0.46) PARP1LMNAKMT2AMKNK1MKNK2
SCHEMBL8034556 0.79 PARP1 (0.61) PARP1HTTLMNAAKR1C1MEN1
SCHEMBL29934036 0.75 IRAK4 (0.49) PARP1HTTMKNK1MKNK2
SCHEMBL28884716 0.74 RXRA (0.48) KMT2A
SCHEMBL29934080 0.74 RXRA (0.48) KMT2A
SCHEMBL718082 0.74 PARP1 (0.79) PARP1HTTLMNAAKR1C1MEN1
SCHEMBL28884605 0.72 MAPT (0.46) HTTLMNAKMT2ARAB9A
SCHEMBL3757098 0.72 PARP10 (0.60) PARP1HTTLMNAAKR1C1MEN1
SCHEMBL15452748 0.71 PARP1 (0.65) PARP1HTTLMNAAKR1C1PARP2
SCHEMBL12505427 0.71 PARP1 (0.64) PARP1HTTLMNAAKR1C1PARP2

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-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 — — CN disclosed
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