SCHEMBL10858731

SCHEMBL10858731

O=C(O)CCC(=O)Nc1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1)CC3

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.66
BCHE P06276 5/20 0.55
ACHE P22303 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
APP P05067 1/20 0.52

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
SCHEMBL10858737 1.00 NME2 (0.66) NME2BCHEACHEMEN1KMT2A
SCHEMBL10852040 0.95 NME2 (0.64) NME2BCHEACHEMEN1KMT2A
SCHEMBL10852047 0.95 NME2 (0.64) NME2BCHEACHEMEN1KMT2A
SCHEMBL10856159 0.95 NME2 (0.64) NME2BCHEACHEMEN1KMT2A
SCHEMBL10856152 0.95 NME2 (0.64) NME2BCHEACHEMEN1KMT2A
SCHEMBL10850427 0.93 NME2 (0.60) NME2BCHEACHEMEN1KMT2A
SCHEMBL10850430 0.93 NME2 (0.60) NME2BCHEACHEMEN1KMT2A
SCHEMBL10854809 0.93 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10854802 0.93 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10853554 0.93 NME2 (0.63) NME2BCHEACHEMEN1KMT2A

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-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 US disclosed