SCHEMBL9799171

SCHEMBL9799171

CON(C)C(=O)Nc1cccc(CCCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
IDH1 O75874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9799201 0.92 FFAR4 (0.53) TP53SMN1; SMN2GAAMAPTMEN1
SCHEMBL11230891 0.89 TP53 (0.56) TP53SMN1; SMN2GAAMAPTMEN1
SCHEMBL11043291 0.86 SIRT2 (0.57) TP53SMN1; SMN2GAAMAPTMEN1
SCHEMBL11107806 0.86 KMT2A (0.49) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL11112486 0.84 RAB9A (0.51) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11106844 0.84 NR1H4 (0.47) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL11109670 0.82 RAB9A (0.46) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9799411 0.82 RAB9A (0.53) TP53SMN1; SMN2GAAMAPTMEN1
SCHEMBL9799292 0.81 PKM (0.59) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9799410 0.81 MEN1 (0.51) SMN1; SMN2MAPTMEN1KMT2ARAB9A

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
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed