SCHEMBL21864684

SCHEMBL21864684

CC(C)OCCOCCOc1ccc(-c2csc3ccc(C(N)=O)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.41
RARB P10826 1/20 0.38
PARP10 Q53GL7 3/20 0.38
CHEK1 O14757 2/20 0.37
CYP2C9 P11712 1/20 0.35
FFAR1 O14842 4/20 0.35
FYN P06241 1/20 0.35
LSS P48449 1/20 0.35
RXRA P19793 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL6310151 0.75 PARP10 (0.65) PARP10
SCHEMBL21864624 0.74 HTR1D (0.38) RXRA
SCHEMBL17888657 0.72 PARP10 (0.42) RARBPARP10CYP2C9
SCHEMBL21864622 0.71 MAPT (0.38)
SCHEMBL17899401 0.69 SLC6A2 (0.41) CHEK2RARBPARP10
SCHEMBL21864643 0.69 HPGD (0.43) RARBCYP2C9
SCHEMBL21864626 0.68 GSK3B (0.49) CHEK2RARBPARP10
SCHEMBL24572422 0.67 CHEK2 (0.43) CHEK2PARP10CHEK1CYP2C9FYN
SCHEMBL12390490 0.67 SLC9A1 (0.45) CHEK2PARP10
SCHEMBL578814 0.67 CHEK2 (0.49) CHEK2RARBPARP10CHEK1FYN

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