SCHEMBL10857181

SCHEMBL10857181

O=C(O)/C(Cl)=C(/Cl)C(=O)Nc1ccc2c(=O)n3c(nc2c1)C(=Cc1ccccc1)CC3

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ NME2 P22392 1/20 0.53
▸ ALOX5 P09917 2/20 0.50

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
SCHEMBL10857176 1.00 MEN1 (0.54) MEN1KMT2ANME2ALOX5
SCHEMBL10857187 1.00 MEN1 (0.54) MEN1KMT2ANME2ALOX5
Dimethylamine SCHEMBL10858458 0.97 MEN1 (0.51) MEN1KMT2ANME2ALOX5
SCHEMBL10853628 0.93 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10853654 0.93 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10853641 0.93 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10853970 0.93 MEN1 (0.55) MEN1KMT2ANME2
SCHEMBL10849660 0.93 MEN1 (0.54) MEN1KMT2ANME2
SCHEMBL10849666 0.93 MEN1 (0.54) MEN1KMT2ANME2
SCHEMBL10849672 0.93 MEN1 (0.54) 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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