SCHEMBL10854220

SCHEMBL10854220

O=C(CN1CCCC1)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.69
▸ BCHE P06276 2/20 0.59
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ACHE P22303 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
SCHEMBL10852249 0.92 NME2 (0.61) NME2BCHEMEN1KMT2AACHE
SCHEMBL10854803 0.92 NME2 (0.59) NME2BCHEMEN1KMT2AACHE
SCHEMBL10852729 0.91 NME2 (0.58) NME2BCHEMEN1KMT2AACHE
SCHEMBL10854688 0.91 NME2 (0.82) NME2BCHEACHE
SCHEMBL10854492 0.91 NME2 (0.81) NME2BCHEACHE
SCHEMBL10853541 0.89 NME2 (0.63) NME2BCHEMEN1KMT2AACHE
SCHEMBL10853554 0.89 NME2 (0.63) NME2BCHEMEN1KMT2AACHE
SCHEMBL10852186 0.89 NME2 (0.55) NME2BCHE
SCHEMBL10858737 0.87 NME2 (0.66) NME2BCHEMEN1KMT2AACHE
SCHEMBL10858731 0.87 NME2 (0.66) NME2BCHEMEN1KMT2AACHE

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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