SCHEMBL10856136

SCHEMBL10856136

CCOc1cccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCN(C)CC4)ccc2c3=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NME2 P22392 2/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
BCHE P06276 2/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL10855751 0.93 NME2 (0.56) NME2KMT2AMEN1POLBBCHE
SCHEMBL10850719 0.92 NME2 (0.58) NME2KMT2AMEN1POLBBCHE
SCHEMBL10852249 0.88 NME2 (0.61) NME2KMT2AMEN1BCHEACHE
SCHEMBL10854099 0.87 NME2 (0.61) NME2KMT2AMEN1POLBBCHE
SCHEMBL10851710 0.86 KMT2A (0.53) NME2KMT2AMEN1POLBMAPT
SCHEMBL10851724 0.86 KMT2A (0.53) NME2KMT2AMEN1POLBMAPT
SCHEMBL10853989 0.86 NME2 (0.64) NME2KMT2AMEN1BCHEBLM
SCHEMBL10858744 0.86 NME2 (0.60) NME2KMT2AMEN1POLBBCHE
SCHEMBL10856943 0.84 KMT2A (0.51) NME2KMT2AMEN1POLBMAPT
SCHEMBL10855954 0.84 KMT2A (0.51) NME2KMT2AMEN1POLBMAPT

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