SCHEMBL10856607

SCHEMBL10856607

CC(C)(C(=O)O)C(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccc(Cl)cc1)CC3

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ NME2 P22392 1/20 0.54

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
SCHEMBL10856598 1.00 MEN1 (0.55) MEN1KMT2ANME2
SCHEMBL10854138 0.93 KMT2A (0.56) MEN1KMT2ANME2
SCHEMBL10854129 0.93 KMT2A (0.56) MEN1KMT2ANME2
SCHEMBL10852574 0.92 MEN1 (0.55) MEN1KMT2ANME2
SCHEMBL10852565 0.92 MEN1 (0.55) MEN1KMT2ANME2
SCHEMBL10855726 0.90 KMT2A (0.56) MEN1KMT2ANME2
SCHEMBL10855732 0.90 KMT2A (0.56) MEN1KMT2ANME2
SCHEMBL10854565 0.88 KMT2A (0.57) MEN1KMT2ANME2
SCHEMBL10854574 0.88 KMT2A (0.57) MEN1KMT2ANME2
SCHEMBL10854930 0.87 MEN1 (0.58) MEN1KMT2ANME2

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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