SCHEMBL10860722

SCHEMBL10860722

COc1cccc(C=C2CCn3c2nc2cc(NC(=O)CCC(=O)O)ccc2c3=O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.57
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 2/20 0.51
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL10860709 1.00 NME2 (0.57) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10857243 0.94 NME2 (0.55) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10857248 0.94 NME2 (0.55) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10858565 0.92 NME2 (0.62) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10858584 0.92 NME2 (0.62) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10850430 0.90 NME2 (0.60) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10850427 0.90 NME2 (0.60) NME2KMT2AMEN1RAB9AMAPT
SCHEMBL10858731 0.90 NME2 (0.66) NME2KMT2AMEN1
SCHEMBL10858737 0.90 NME2 (0.66) NME2KMT2AMEN1
SCHEMBL10850968 0.89 KMT2A (0.56) NME2KMT2AMEN1RAB9AMAPT

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