SCHEMBL21864622

SCHEMBL21864622

CC(C)OCCOCCOC1CCN(c2csc3ccc(C(N)=O)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 3/20 0.35
THRB P10828 2/20 0.35
HTR1B P28222 2/20 0.35
CTPS1 P17812 1/20 0.34
LIPG Q9Y5X9 2/20 0.34
HTT P42858 1/20 0.34
LIPC P11150 1/20 0.34
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 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
SCHEMBL21864624 0.78 HTR1D (0.38) HTR1BHTR1AHTR1D
SCHEMBL21864683 0.71 HRH3 (0.38) LIPGHRH3
SCHEMBL21864684 0.71 CHEK2 (0.41)
SCHEMBL12115089 0.69 CDK8 (0.41) MAPTPOLBTP53CTPS1LIPG
SCHEMBL1320572 0.68 CDK8 (0.45) MAPTPOLBTP53HTR1BCTPS1
SCHEMBL12115165 0.66 HRH3 (0.38) HRH3
SCHEMBL12115091 0.66 CDK8 (0.41) MAPTPOLBTP53CTPS1LIPG
SCHEMBL21864603 0.66 HTR1D (0.46) HTR1BHTR1AHTR1D
SCHEMBL21864582 0.66 MTNR1B (0.39) MAPTPOLBTP53HTR1BCTPS1
SCHEMBL1318684 0.64 CDK8 (0.44) MAPTPOLBTP53HTR1BCTPS1

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-2020071550-A1 CDK8 INHIBITOR AND USE OF SAME 京都薬品工業株式会社 2020-04-09 WO disclosed