SCHEMBL10852186

SCHEMBL10852186

CCOC(=O)N1CCN(CC(=O)Nc2ccc3c(=O)n4c(nc3c2)C(=Cc2ccccc2)CC4)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 1/20 0.55
▸ BCHE P06276 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX5 P09917 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ L3MBTL1 Q9Y468 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
SCHEMBL10856949 0.92 NME2 (0.66) NME2BCHE
SCHEMBL10852249 0.90 NME2 (0.61) NME2BCHE
SCHEMBL10854220 0.89 NME2 (0.69) NME2BCHE
SCHEMBL10852729 0.87 NME2 (0.58) NME2BCHE
SCHEMBL10854803 0.86 NME2 (0.59) NME2BCHE
SCHEMBL10850719 0.84 NME2 (0.58) NME2BCHEALDH1A1MAPTBLM
SCHEMBL10853989 0.84 NME2 (0.64) NME2BCHEBLM
SCHEMBL10856136 0.83 NME2 (0.54) NME2BCHEALDH1A1MAPTKDM4E
SCHEMBL10852465 0.83 NME2 (0.71) NME2BCHEBLM
SCHEMBL10853554 0.83 NME2 (0.63) NME2BCHEALOX5

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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