SCHEMBL8854697

SCHEMBL8854697

NC1COc2cccc(C=O)c2C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 2/20 0.32
KCNJ1 P48048 1/20 0.31
CA2 P00918 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10699275 0.79 DRD2 (0.33) CA2
SCHEMBL19054489 0.76 HTR7 (0.38) KMT2ATDP1
SCHEMBL875341 0.76 DRD2 (0.45)
SCHEMBL9392163 0.76 DRD2 (0.45)
SCHEMBL30601522 0.76 DRD2 (0.45)
SCHEMBL23652957 0.76 AADAT (0.37) CA2
Hydrochloric Acid SCHEMBL21810859 0.75 HTR2A (0.34)
SCHEMBL6681925 0.75 ALDH1A1 (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL5761600 0.74 PARP1 (0.43)
SCHEMBL13808984 0.72 PTPRF (0.39) MEN1LMNATHRBBLMKMT2A

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-5656657-A Chroman derivatives ASTRA AKTIEBOLAG (SE) 1997-08-12 US disclosed