SCHEMBL10851546

SCHEMBL10851546

O=C(O)C(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CCC3

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.65
▸ POLB P06746 1/20 0.56
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52

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
SCHEMBL10851536 1.00 NME2 (0.65) NME2POLBMEN1KMT2AHPGD
SCHEMBL10851904 0.94 MEN1 (0.58) NME2MEN1KMT2A
SCHEMBL10851910 0.94 MEN1 (0.58) NME2MEN1KMT2A
SCHEMBL11085784 0.90 NME2 (0.65) NME2POLBMEN1KMT2AHPGD
SCHEMBL10854513 0.88 KMT2A (0.68) NME2POLBMEN1KMT2AHPGD
SCHEMBL10854507 0.88 KMT2A (0.68) NME2POLBMEN1KMT2AHPGD
SCHEMBL10853295 0.87 ALOX5 (0.52) NME2MEN1KMT2A
SCHEMBL10853279 0.87 ALOX5 (0.52) NME2MEN1KMT2A
SCHEMBL10849496 0.86 KMT2A (0.59) NME2POLBMEN1KMT2AHPGD
SCHEMBL10849487 0.86 KMT2A (0.59) NME2POLBMEN1KMT2AHPGD

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
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