SCHEMBL10858744

SCHEMBL10858744

COc1ccc(C=C2CCn3c2nc2cc(NC(=O)CN4CCN(C)CC4)ccc2c3=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NME2 P22392 4/20 0.60
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BCHE P06276 1/20 0.51
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BLM P54132 1/20 0.48

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
SCHEMBL10853989 0.93 NME2 (0.64) NME2KMT2AMEN1BCHEBLM
SCHEMBL10850719 0.92 NME2 (0.58) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10855751 0.92 NME2 (0.56) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10859382 0.90 NME2 (0.62) NME2KMT2AMEN1BCHEPOLB
SCHEMBL10852249 0.90 NME2 (0.61) NME2KMT2AMEN1BCHE
SCHEMBL10854890 0.88 NME2 (0.60) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10854883 0.88 NME2 (0.60) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10858584 0.86 NME2 (0.62) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10858565 0.86 NME2 (0.62) NME2KMT2AMEN1MAPTALDH1A1
SCHEMBL10856136 0.86 NME2 (0.54) NME2KMT2AMEN1MAPTALDH1A1

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