SCHEMBL6015944

SCHEMBL6015944

[c]1cccc2c(CN3CCOCC3)c[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HRH3 Q9Y5N1 5/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2A13 Q16696 5/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6015887 0.87 LMNA (0.59) BCHECYP2D6ALDH1A1HRH3KDM4E
SCHEMBL6015775 0.85 LMNA (0.61) BCHECYP2D6ALDH1A1HRH3KDM4E
SCHEMBL6015685 0.83 HTR6 (0.63) BCHECYP2D6ALDH1A1KDM4ELMNA
SCHEMBL6015640 0.83 BCHE (0.51) BCHECYP2D6ALDH1A1KMT2AKDM4E
SCHEMBL6016017 0.82 DRD2 (0.49) BCHECYP2D6ALDH1A1KDM4ELMNA
SCHEMBL6016030 0.81 BCHE (0.49) BCHECYP2D6ALDH1A1KMT2AMEN1
SCHEMBL6016026 0.79 BCHE (0.47) BCHECYP2D6ALDH1A1HRH3KDM4E
SCHEMBL6015714 0.79 HTR6 (0.58) BCHECYP2D6ALDH1A1KMT2AMEN1
SCHEMBL1856027 0.78 BCHE (0.79) BCHECYP2D6ALDH1A1HRH3KDM4E
SCHEMBL6015996 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4ELMNA

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 6 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
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
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