SCHEMBL9670875

SCHEMBL9670875

CNC(=S)C1(c2cccnc2)CCC(CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
NAMPT P43490 1/20 0.36
TBXAS1 P24557 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
HDAC4 P56524 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
SCHEMBL9671024 0.84 NAMPT (0.38) CNR1NAMPT
SCHEMBL9216640 0.83 LMNA (0.35) CNR1NAMPTTBXAS1LMNASMN1; SMN2
SCHEMBL9209319 0.83 LMNA (0.35) CNR1NAMPTTBXAS1LMNASMN1; SMN2
SCHEMBL9672533 0.77 SLC6A2 (0.35) HTTHDAC4
SCHEMBL9670873 0.75 CNR1 (0.39) CNR1NAMPTLMNASMN1; SMN2TSHR
SCHEMBL9211118 0.73 TBXAS1 (0.40) NAMPTTBXAS1LMNASMN1; SMN2TSHR
SCHEMBL9211128 0.73 TBXAS1 (0.40) NAMPTTBXAS1LMNASMN1; SMN2TSHR
SCHEMBL9879131 0.73 GAA (0.36) TSHRIDO1
SCHEMBL9670602 0.73 GAA (0.36) TSHRIDO1
SCHEMBL9209313 0.72 NAMPT (0.33) NAMPTLMNASMN1; SMN2TSHRHTT

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
EP-0510028-A1 THIOFORMAMIDE DERIVATIVES. RHONE POULENC RORER SA (FR) 1992-10-28 EP disclosed