SCHEMBL11267914

SCHEMBL11267914

C=CCOC(=O)Nc1cccc(OC(=O)N(CC)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 3/20 0.39
XBP1 P17861 2/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL11256425 0.89 GAA (0.39) GAASMN1; SMN2TP53MAPTLMNA
SCHEMBL11256048 0.89 TP53 (0.42) GAASMN1; SMN2TP53MAPTLMNA
SCHEMBL11431875 0.88 GAA (0.47) GAASMN1; SMN2MAPTLMNANPSR1
SCHEMBL11273076 0.83 GAA (0.41) GAAMAPTLMNAHTTALDH1A1
SCHEMBL11265496 0.83 KMT2A (0.45) GAASMN1; SMN2TP53MAPTLMNA
SCHEMBL11267015 0.80 GAA (0.45) GAASMN1; SMN2MAPTLMNANPSR1
SCHEMBL11254486 0.80 MAPK1 (0.46) GAASMN1; SMN2TP53MAPTLMNA
SCHEMBL11433689 0.79 GAA (0.45) GAASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL11433969 0.79 GAA (0.44) GAASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL11269610 0.79 GAA (0.44) GAASMN1; SMN2MAPTLMNANPSR1

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-4317674-A Diurethanes, process for making the same and selective herbicide composition containing same SCHERING AG (DE) 1982-03-02 US claimed