SCHEMBL31662424

SCHEMBL31662424

NC(=O)c1cc(Oc2ccc(O)cc2)n2cncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.48
PARP15 Q460N3 4/20 0.38
PARP14 Q460N5 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
PARP3 Q9Y6F1 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 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
SCHEMBL31662464 0.86 MPO (0.41) PARP10KMT2AALDH1A1MEN1
SCHEMBL31662366 0.85 CA1 (0.42) ALDH1A1
SCHEMBL31662459 0.83 TBXAS1 (0.40) PARP10PARP15PARP14KMT2AALDH1A1
SCHEMBL31662082 0.76 TBXAS1 (0.34) PARP10PARP15ALDH1A1SIRT2SIRT3
SCHEMBL31662223 0.76 KDM4E (0.41) KMT2AALDH1A1MEN1ESR1ESR2
SCHEMBL31662141 0.75 CPT1A (0.34) PARP10PARP15PARP2MAP4K4
SCHEMBL31661965 0.75 SCN9A (0.39)
SCHEMBL31661907 0.75 CPT1A (0.34) PARP10PARP15PARP2MAP4K4
SCHEMBL31662321 0.73 ESR2 (0.39) KMT2AALDH1A1F2ESR2
SCHEMBL31662628 0.72 KCNH2 (0.36) KMT2AALDH1A1MEN1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed