SCHEMBL21033434

SCHEMBL21033434

CC(=O)COc1ccccc1OCc1nc(NC(=O)NC(O)(CC(C)=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.34
PPIF P30405 1/20 0.34
PPIA P62937 4/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 2/20 0.31
SENP2 Q9HC62 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL21033435 0.69 MAPT (0.40) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL23060028 0.61 LMNA (0.36) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2955119 0.60 KMT2A (0.62) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL22789719 0.60 TSHR (0.48) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL15197111 0.59 HPGD (0.55) LMNAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5523413 0.59 KMT2A (0.57) LMNAMAPTTP53SMN1; SMN2TSHR
SCHEMBL19655849 0.58 PPIA (0.40) PPIFPPIATP53SMN1; SMN2ALDH1A1
SCHEMBL13842890 0.58 ALDH1A1 (0.41) LMNAMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL165819 0.57 NPC1 (0.57) LMNASMN1; SMN2ALDH1A1TSHRCYP2C19
SCHEMBL3251711 0.57 ALDH1A1 (0.40) LMNAMAPTSMN1; SMN2ALDH1A1TSHR

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-2019101513-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2019-05-31 WO disclosed