SCHEMBL6015952

SCHEMBL6015952

CN(C)CCCOc1ccc2[nH]c[c]c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
LSS P48449 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 2/20 0.39
PARP1 P09874 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL6016057 0.93 KEAP1 (0.46) KDM4EALDH1A1HRH3PDGFRBPDGFRA
SCHEMBL6015768 0.89 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HRH3PDGFRB
SCHEMBL6015813 0.81 KEAP1 (0.46) KDM4EALDH1A1HRH3PDGFRBPDGFRA
SCHEMBL7616369 0.80 HRH3 (0.36) KDM4EALDH1A1SMN1; SMN2HRH3HTR1A
SCHEMBL11307947 0.79 HSD17B10 (0.47) KDM4EALDH1A1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL7616364 0.76 MAOA (0.48) KDM4EALDH1A1SMN1; SMN2HRH3PDGFRB
SCHEMBL1792877 0.74 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HRH3PDGFRB
SCHEMBL6015988 0.73 PDE3B (0.41) KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL8814884 0.72 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HRH3PDGFRB
SCHEMBL6015916 0.72 LTA4H (0.60) KDM4EALDH1A1SMN1; SMN2HRH3

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