SCHEMBL10853554

SCHEMBL10853554

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.63
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ BCHE P06276 2/20 0.54
▸ ACHE P22303 1/20 0.53
▸ ALOX5 P09917 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
SCHEMBL10853541 1.00 NME2 (0.63) NME2MEN1KMT2ABCHEACHE
SCHEMBL10858731 0.93 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10858502 0.93 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10858499 0.93 NME2 (0.63) NME2MEN1KMT2A
SCHEMBL10858737 0.93 NME2 (0.66) NME2MEN1KMT2ABCHEACHE
SCHEMBL10852367 0.92 NME2 (0.58) NME2MEN1KMT2A
SCHEMBL10852358 0.92 NME2 (0.58) NME2MEN1KMT2A
SCHEMBL10858628 0.92 NME2 (0.62) NME2MEN1KMT2A
SCHEMBL10858630 0.92 NME2 (0.62) NME2MEN1KMT2A
SCHEMBL10852047 0.91 NME2 (0.64) NME2MEN1KMT2ABCHEACHE

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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