SCHEMBL27316975

SCHEMBL27316975

N#CCOc1ccc(C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 19/20 0.59
▸ PARP15 Q460N3 8/20 0.59
▸ PARP2 Q9UGN5 4/20 0.59
▸ PARP4 Q9UKK3 2/20 0.53
▸ PARP14 Q460N5 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PARP16 Q8N5Y8 1/20 0.53
▸ PARP11 Q9NR21 1/20 0.53
▸ MAOB P27338 2/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PARP1 P09874 1/20 0.50
▸ AOC3 Q16853 1/20 0.47

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
SCHEMBL17099938 0.98 PARP10 (0.58) PARP10PARP15PARP2PARP4PARP14
SCHEMBL4670304 0.85 LCK (0.49) PARP10PARP15PARP2PARP4PARP14
SCHEMBL30172106 0.83 PKM (0.56) ALDH1A1CA1CA2
SCHEMBL11086552 0.83 PARP10 (0.61) PARP10PARP15PARP2PARP4PARP14
SCHEMBL20273256 0.81 PARP10 (0.59) PARP10PARP15PARP2PARP4PARP14
SCHEMBL8421926 0.81 MAPT (0.65) ALDH1A1MAOB
SCHEMBL3058669 0.81 PARP1 (0.57) PARP10PARP15PARP2PARP14KMT2A
SCHEMBL4984973 0.79 CA2 (0.48) CA2
SCHEMBL1249230 0.79 MAPT (0.66) KMT2ACA1CA2
SCHEMBL4754075 0.77 PLK1 (0.65) ALDH1A1

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-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 — — WO disclosed
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