SCHEMBL30461111

SCHEMBL30461111

Cc1cc(Oc2ccc(C#N)cc2)ccc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IL18 Q14116 1/20 0.44
ENPP2 Q13822 1/20 0.43
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE1A P54750 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL30461110 1.00 PARP15 (0.45) PARP15PARP10PARP2LMNAMAPT
SCHEMBL2527374 1.00 PARP15 (0.45) PARP15PARP10PARP2LMNAMAPT
SCHEMBL15159875 0.89 PARP15 (0.42) PARP15PARP10PARP2LMNAMAPT
SCHEMBL18615343 0.81 KMT2A (0.51) PARP15PARP10PARP2LMNAMAPT
SCHEMBL29954967 0.81 ENPP2 (0.48) ENPP2ARALDH1A1CYP2A6
SCHEMBL1277292 0.81 ENPP2 (0.48) ENPP2ARALDH1A1CYP2A6
SCHEMBL23030274 0.80 PARP15 (0.42) PARP15PARP10PARP2LMNAMAPT
SCHEMBL15186173 0.80 PARP15 (0.45) PARP15PARP10PARP2LMNAMAPT
SCHEMBL15156136 0.80 CA1 (0.55) L3MBTL1ALDH1A1
SCHEMBL21239291 0.79 PTGER4 (0.49) PARP15PARP10PARP2LMNAMAPT

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-112174989-B Preparation method of clenbuterol 江西同和药业股份有限公司 2023-06-20 CN claimed