SCHEMBL23355280

SCHEMBL23355280

ClNc1ccc(OCC2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 6/20 0.53
PARP10 Q53GL7 6/20 0.53
PARP2 Q9UGN5 2/20 0.53
GRM2 Q14416 3/20 0.45
TDP1 Q9NUW8 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 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
SCHEMBL24618063 0.82 PARP15 (0.53) PARP15PARP10PARP2TDP1FNTA
SCHEMBL20969685 0.79 PARP15 (0.50) PARP15PARP10PARP2TDP1FNTA
SCHEMBL29024848 0.76 PARP15 (0.64) PARP15PARP10PARP2TDP1
SCHEMBL2563096 0.76 PARP10 (0.62) PARP15PARP10PARP2TDP1
SCHEMBL16838743 0.76 TDP1 (0.69) PARP15PARP10PARP2TDP1
SCHEMBL25727749 0.76 PARP15 (0.57) PARP15PARP10PARP2
SCHEMBL18374444 0.76 PARP15 (0.57) PARP15PARP10PARP2TDP1
SCHEMBL21051418 0.76 PARP10 (0.62) PARP15PARP10PARP2TDP1
SCHEMBL3572304 0.76 PARP15 (0.57) PARP15PARP10PARP2TDP1
SCHEMBL20969564 0.75 PARP15 (0.51) PARP15PARP10PARP2GRM2TDP1

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
EP-3820860-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 Lieber Institute, Inc. (US) 2021-05-19 EP disclosed