SCHEMBL11244545

SCHEMBL11244545

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPIA P62937 2/20 0.42
NPC1 O15118 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8655810 0.88 MEN1 (0.48) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL11229534 0.87 PYGL (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9135345 0.85 MAPT (0.47) MAPTTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL11246588 0.84 PYGL (0.57) MAPTTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL11236591 0.83 MEN1 (0.44) MAPTMEN1KMT2APPIAPYGL
SCHEMBL8657600 0.82 MEN1 (0.52) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL17036167 0.80 MEN1 (0.53) MAPTTHRBMEN1KMT2ARAB9A
SCHEMBL11242520 0.78 PTGER1 (0.45) MAPTTHRBMEN1KMT2ARAB9A
SCHEMBL11123666 0.77 MEN1 (0.42) MAPTTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL8657138 0.77 PTGDR2 (0.43) MAPTMEN1KMT2ASMN1; SMN2HTT

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-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 US disclosed