SCHEMBL4782020

SCHEMBL4782020

Cc1c(C(F)(F)F)[nH]c(=O)n(-c2c(F)cc(Cl)c3nc(C(F)(F)F)[nH]c23)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7574968 0.79 BCAT1 (0.43) USP2TSHRSMN1; SMN2
SCHEMBL8336393 0.77 CDK4 (0.33) CDK4CCND1
SCHEMBL8101809 0.76 CDK4 (0.30) CDK4CCND1
SCHEMBL8102067 0.75 GRIN2D (0.31) CDK4CCND1
SCHEMBL3774414 0.74 USP2 (0.32) USP2TSHR
SCHEMBL7822671 0.73 GRIN2D (0.37) TSHRCDK4CCND1
SCHEMBL7574972 0.70 BCAT1 (0.43) USP2TSHRSMN1; SMN2
SCHEMBL22495466 0.70 HTT (0.40) SMN1; SMN2
SCHEMBL8116477 0.70 MAPT (0.42) USP2TSHRMAPTHPGDCRHBP
SCHEMBL7162422 0.69 BCAT1 (0.33)

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-2008008933-A2 METHOD OF CONTROLLING WEEDS FMC CORPORATION (US) 2008-01-17 WO disclosed