SCHEMBL7419040

SCHEMBL7419040

COc1cc(N)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
GAA P10253 2/20 0.61
DDX3X O00571 2/20 0.60
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LPAR1 Q92633 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
GFER P55789 1/20 0.52
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5852144 0.86 LPAR1 (0.71) MEN1KMT2AGAADDX3XMAPT
SCHEMBL3460669 0.84 MAPT (0.60) MEN1KMT2AGAADDX3XMAPT
SCHEMBL17978458 0.82 LPAR1 (0.59) MEN1KMT2AGAADDX3XMAPT
SCHEMBL4675624 0.81 MEN1 (0.59) MEN1KMT2AGAADDX3XMAPT
SCHEMBL14222078 0.81 MEN1 (0.59) MEN1KMT2AGAADDX3XMAPT
SCHEMBL5595187 0.81 CA12 (0.60) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL16592515 0.81 GAA (0.59) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL4674769 0.80 MEN1 (0.57) MEN1KMT2AGAADDX3XMAPT
SCHEMBL14500970 0.79 MEN1 (0.56) MEN1KMT2AGAADDX3XMAPT
SCHEMBL5701006 0.79 ITGA4 (0.61) MEN1KMT2AGAADDX3XMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173415-A1 DIPHENYLUREA DERIVATIVES AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000064866-A1 DIPHENYLUREA DERIVATIVES ASTRAZENECA AB (SE) 2000-11-02 WO disclosed