SCHEMBL11087999

SCHEMBL11087999

CC(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.58
▸ KMT2A Q03164 7/20 0.58
▸ NME2 P22392 1/20 0.57
▸ ALOX5 P09917 2/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ BLM P54132 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 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

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
SCHEMBL11085784 0.94 NME2 (0.65) MEN1KMT2ANME2ALOX5POLB
SCHEMBL11083677 0.93 ALOX5 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10851904 0.90 MEN1 (0.58) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10851910 0.90 MEN1 (0.58) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10851428 0.90 MEN1 (0.54) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10851419 0.90 MEN1 (0.54) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10851437 0.90 MEN1 (0.54) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10852574 0.89 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10852565 0.89 MEN1 (0.55) MEN1KMT2ANME2ALOX5RAB9A
SCHEMBL10853554 0.88 NME2 (0.63) MEN1KMT2ANME2ALOX5

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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