SCHEMBL8156201

SCHEMBL8156201

NC(=O)c1ccc(OC2CCC2)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
PDE4B Q07343 9/20 0.56
PDE4D Q08499 8/20 0.56
PDE4A P27815 7/20 0.56
PDE4C Q08493 7/20 0.56
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 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
SCHEMBL31535540 0.86 KMT2A (0.56) PARP10PDE4BPDE4DPDE4APDE4C
SCHEMBL2562290 0.83 KMT2A (0.59) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL8154363 0.82 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL31535406 0.82 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL13451038 0.81 PARP10 (0.61) PARP10PDE4BPDE4DPDE4APDE4C
SCHEMBL29710989 0.81 PARP10 (0.49) PARP10PDE4BPDE4DPDE4APDE4C
SCHEMBL2563365 0.81 KMT2A (0.47) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL2543514 0.80 KMT2A (0.51) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL20021947 0.79 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CMAPK14
SCHEMBL4728938 0.79 PDE4B (0.80) PDE4BPDE4DPDE4APDE4CMAPK14

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
US-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed