SCHEMBL30283552

SCHEMBL30283552

[2H]C([2H])([2H])c1ccccc1-c1c[nH]c(=O)c2cc(OCC(F)F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 3/20 0.36
▸ PARP10 Q53GL7 3/20 0.36
▸ ROCK1 Q13464 5/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ IGLV6-57 P01721 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ TOP2A P11388 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31

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
SCHEMBL30283490 0.92 ROCK1 (0.38) PARP15PARP10ROCK1BRD4TOP1
SCHEMBL30283588 0.84 GPR3 (0.40) PARP15PARP10ROCK1BRD4IP6K1
SCHEMBL30283654 0.81 ALDH1A1 (0.41) PARP15PARP10ROCK1BRD4TOP1
SCHEMBL30283486 0.81 ROCK1 (0.36) PARP15PARP10ROCK1BRD4AAK1
SCHEMBL30283807 0.80 PARP15 (0.40) PARP15PARP10ROCK1AAK1
SCHEMBL30283611 0.79 TDO2 (0.36) PARP15PARP10ROCK1BRD4AAK1
SCHEMBL31719876 0.78 ALDH1A1 (0.44) ROCK1BRD4KMT2A
SCHEMBL31719986 0.77 PARP15 (0.35) PARP15PARP10ROCK1PARP1
SCHEMBL30283579 0.76 GPR3 (0.42) PARP15PARP10ROCK1BRD4IP6K1
SCHEMBL31719864 0.74 PARP15 (0.39) PARP15PARP10IP6K1AAK1

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-2023034344-A1 ISOQUINOLINONES AND QUINOLINONES AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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