SCHEMBL8890367

SCHEMBL8890367

Cc1ccc(C(=O)c2cnoc2C2CC2)c(Cc2ccccc2S(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.35
CDK2 P24941 7/20 0.33
CCNE1 P24864 6/20 0.33
GSK3B P49841 5/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LMNA P02545 2/20 0.31
EPHX2 P34913 1/20 0.31
PDE2A O00408 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8890477 0.91 NR3C1 (0.38) NR3C1CDK2CCNE1GSK3BTAS1R3
SCHEMBL8892474 0.89 NR3C1 (0.35) NR3C1CDK2CCNE1GSK3BTAS1R3
SCHEMBL8890226 0.89 NR3C1 (0.35) NR3C1CDK2CCNE1GSK3BJAK2
SCHEMBL8891637 0.85 LMNA (0.34) NR3C1CDK2CCNE1GSK3BTAS1R3
SCHEMBL8890152 0.85 LMNA (0.36) NR3C1CDK2CCNE1GSK3BTAS1R3
SCHEMBL8889307 0.83 NR3C1 (0.35) NR3C1CDK2CCNE1GSK3BTAS1R3
SCHEMBL8889692 0.83 ALDH1A1 (0.37) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL8891649 0.83 SLC6A2 (0.37) MEN1KMT2AEPHX2ALDH1A1TP53
SCHEMBL8891163 0.83 PDE2A (0.33) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL677644 0.83 DHODH (0.36) CDK2CCNE1TAS1R3TAS1R1TAS1R2

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed