SCHEMBL9040736

SCHEMBL9040736

CC(Nc1c2c(nc3ccccc13)CCCC2=O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPKAPK2 P49137 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 4/20 0.39
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL9041363 0.77 CYP1A2 (0.56) ALDH1A1ACHE
SCHEMBL9875385 0.77 KDM4E (0.54) KDM4EKMT2AGAAHSD17B10ALDH1A1
SCHEMBL9875611 0.72 BCHE (0.53) KDM4EALDH1A1BCHEACHE
SCHEMBL9040732 0.71 KDM4E (0.51) KDM4EKMT2AALDH1A1HPGDBCHE
SCHEMBL9874947 0.71 KDM4E (0.51) KDM4EKMT2ABCHEACHEHTT
SCHEMBL8984077 0.71 KMT2A (0.67) KDM4EKMT2APOLBBCHEACHE
SCHEMBL9874867 0.70 PABPC1 (0.71) KMT2APOLBBCHEACHENPC1
SCHEMBL9875231 0.69 BCHE (0.64) KDM4EKMT2ABCHEACHEHTT
SCHEMBL9875000 0.69 KDM4E (0.57) KDM4EKMT2APOLBBCHEACHE
SCHEMBL9874160 0.68 BCHE (0.54) BCHEACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430114-B1 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-02-07 — — EP disclosed
US-5112829-A Intermediates for Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US disclosed
EP-0430114-A2 Hexahydro-1H-quino[4,3,2-ef][1,4]benzoxazepines and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-06-05 — — EP disclosed
US-4994452-A Memory disfunction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-02-19 — — US disclosed
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