SCHEMBL10854099

SCHEMBL10854099

CCOc1cccc(C=C2CCn3c2nc2cc(NC(=O)CCN4CCOCC4)ccc2c3=O)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NME2 P22392 6/20 0.61
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL10853916 0.93 NME2 (0.67) NME2MEN1KMT2APOLBBCHE
SCHEMBL10856141 0.93 NME2 (0.62) NME2MEN1KMT2APOLBBCHE
SCHEMBL10856046 0.90 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10854899 0.89 NME2 (0.71) NME2BCHEACHE
SCHEMBL10854529 0.88 NME2 (0.66) NME2MEN1KMT2APOLBBCHE
SCHEMBL10856136 0.87 NME2 (0.54) NME2MEN1KMT2APOLBBCHE
SCHEMBL10852257 0.87 NME2 (0.69) NME2MEN1KMT2APOLBBCHE
SCHEMBL10857147 0.86 NME2 (0.72) NME2BCHEACHE
SCHEMBL10851724 0.85 KMT2A (0.53) NME2MEN1KMT2APOLB
SCHEMBL10851710 0.85 KMT2A (0.53) NME2MEN1KMT2APOLB

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