SCHEMBL6015765

SCHEMBL6015765

CN(C)CCOC(=O)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
RAD52 P43351 3/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
MAOA P21397 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CYP1A2 P05177 1/20 0.43
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
NTSR1 P30989 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL6015975 0.93 GAA (0.53) PHLPP2ALDH1A1MAPTRAD52MAPK1
SCHEMBL5536597 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1KDM4EPOLBLMNA
SCHEMBL5542394 0.83 ESR1 (0.54) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL5540470 0.82 CA12 (0.50) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL5539416 0.82 ESR1 (0.50) ALDH1A1MAPTMAPK1LMNACYP1A2
SCHEMBL5535885 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1LMNACYP1A2
SCHEMBL6015706 0.80 HRH4 (0.43)
SCHEMBL27601533 0.78 ESR1 (0.38) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL4243309 0.78 KIF11 (0.48) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL6015931 0.77 KMT2A (0.54) ALDH1A1KMT2AKDM4EHRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed