SCHEMBL6016002

SCHEMBL6016002

O=C(OCCN1CCOCC1)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 6/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL6015931 0.90 KMT2A (0.54) ATMSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL6015767 0.80 POLB (0.60) KDM4EALDH1A1HPGDCYP1A2
SCHEMBL6016018 0.78 KDM4E (0.55) KDM4EALDH1A1KMT2AHRH3MEN1
SCHEMBL5536597 0.77 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL16176818 0.75 ATM (0.67) ATMSMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL19321935 0.75 L3MBTL1 (0.70) ATMSMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL5542394 0.75 ESR1 (0.54) SMN1; SMN2L3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL11201848 0.74 ATM (1.00) ATMSMN1; SMN2L3MBTL1GAAKDM4E
SCHEMBL5539416 0.74 ESR1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL6015765 0.74 PHLPP2 (0.51) L3MBTL1GAAKDM4EALDH1A1KMT2A

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