SCHEMBL11091869

SCHEMBL11091869

Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccc2c(c1)OCO2)CCC3

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL11091743 1.00 NME2 (0.49) NME2POLBMEN1KMT2AMAPT
SCHEMBL11078112 0.94 MEN1 (0.52) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL11078081 0.94 MEN1 (0.52) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL11086270 0.86 RAB9A (0.50) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL11086267 0.86 RAB9A (0.50) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL11081932 0.84 POLB (0.56) NME2POLBMEN1KMT2AMAPT
SCHEMBL11081930 0.84 POLB (0.56) NME2POLBMEN1KMT2AMAPT
SCHEMBL11078056 0.83 MEN1 (0.55) NME2POLBMEN1KMT2AMAPT
SCHEMBL11078059 0.83 MEN1 (0.55) NME2POLBMEN1KMT2AMAPT
SCHEMBL11092091 0.83 MEN1 (0.56) NME2POLBMEN1KMT2A

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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