SCHEMBL11085784

SCHEMBL11085784

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.65
▸ POLB P06746 1/20 0.56
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALOX5 P09917 1/20 0.51

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
SCHEMBL11087999 0.94 MEN1 (0.58) NME2POLBMEN1KMT2AHPGD
SCHEMBL11086228 0.93 NME2 (0.56) NME2POLBKMT2AHPGDNPSR1
SCHEMBL10851546 0.90 NME2 (0.65) NME2POLBMEN1KMT2AHPGD
SCHEMBL10851536 0.90 NME2 (0.65) NME2POLBMEN1KMT2AHPGD
SCHEMBL11083677 0.87 ALOX5 (0.55) NME2MEN1KMT2AALOX5
SCHEMBL10851910 0.84 MEN1 (0.58) NME2MEN1KMT2AALOX5
SCHEMBL10851904 0.84 MEN1 (0.58) NME2MEN1KMT2AALOX5
SCHEMBL10851419 0.84 MEN1 (0.54) NME2POLBMEN1KMT2AHPGD
SCHEMBL10851428 0.84 MEN1 (0.54) NME2POLBMEN1KMT2AHPGD
SCHEMBL10851437 0.84 MEN1 (0.54) 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-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 — — US disclosed
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