SCHEMBL10856046

SCHEMBL10856046

Cc1cccc(C=C2CCn3c2nc2cc(NC(=O)CCN4CCOCC4)ccc2c3=O)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NME2 P22392 5/20 0.66
TSHR P16473 1/20 0.56
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
TERT O14746 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10854899 0.93 NME2 (0.71) NME2BCHEACHE
SCHEMBL10854529 0.92 NME2 (0.66) NME2BCHEACHEMEN1KMT2A
SCHEMBL10857147 0.92 NME2 (0.72) NME2BCHEACHE
SCHEMBL10856141 0.91 NME2 (0.62) NME2BCHEACHETERTMEN1
SCHEMBL10854099 0.90 NME2 (0.61) NME2TSHRBCHEACHEMEN1
SCHEMBL10857168 0.88 NME2 (0.71) NME2BCHEACHEMEN1KMT2A
SCHEMBL10852257 0.88 NME2 (0.69) NME2BCHEACHEMEN1KMT2A
SCHEMBL10851330 0.88 NME2 (0.61) NME2TSHRBCHEACHETERT
SCHEMBL10850430 0.87 NME2 (0.60) NME2BCHEACHEMEN1KMT2A
SCHEMBL10850427 0.87 NME2 (0.60) 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