SCHEMBL8109922

SCHEMBL8109922

Bc1cccc(C2CC2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
DRD2 P14416 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16951549 0.80 HTR2C (0.46) HTR2CALOX5APFEN1DRD2HTR1A
SCHEMBL29639264 0.80 HTR2C (0.53) HTR2CDRD2MEN1KMT2AHTR1A
SCHEMBL16951546 0.78 HTR2C (0.40) HTR2CALOX5APFEN1DRD2MEN1
SCHEMBL27845122 0.78 CA1 (0.46) HTR2CALOX5APFEN1DRD2MEN1
SCHEMBL28092534 0.78 HTR2C (0.43) HTR2CALOX5APFEN1HTR1ASLC6A2
SCHEMBL28038757 0.78 MEN1 (0.42) HTR2CALOX5APFEN1MEN1KMT2A
SCHEMBL2046629 0.78 HTR1A (0.50) HTR2CALOX5APFEN1HTR1ASLC6A2
SCHEMBL16962726 0.76 TDP1 (0.39) HTR2CALOX5APFEN1DRD2MEN1
Methylene Chloride SCHEMBL28790522 0.74 CA1 (0.42) HTR2CALOX5APFEN1DRD2MEN1
SCHEMBL16958180 0.74 MEN1 (0.41) HTR2CALOX5APFEN1DRD2MEN1

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-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed