SCHEMBL10860619

SCHEMBL10860619

CN(C(=O)C(=O)O)c1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CCC3

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ NME2 P22392 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALOX5 P09917 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
SCHEMBL10849598 0.94 KMT2A (0.56) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10848512 0.86 KMT2A (0.52) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10848505 0.86 KMT2A (0.52) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10852940 0.83 KMT2A (0.54) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10851747 0.83 KMT2A (0.54) MEN1KMT2ANPSR1KDM4EMAPT
SCHEMBL10852735 0.83 KMT2A (0.54) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10852732 0.83 KMT2A (0.54) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL10850156 0.83 KMT2A (0.54) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL11089900 0.82 POLB (0.75) POLBMEN1KMT2AHPGDNPSR1
SCHEMBL11087361 0.82 POLB (0.75) POLBMEN1KMT2AHPGDNPSR1

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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