SCHEMBL6015706

SCHEMBL6015706

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
PARP1 P09874 4/20 0.38
HDAC4 P56524 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CDK4 P11802 8/20 0.36
CCND1 P24385 8/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PDK1 Q15118 1/20 0.36

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
SCHEMBL6015811 0.80 ALDH1A1 (0.47) HRH4TLR9TLR8TLR7
SCHEMBL6015765 0.80 PHLPP2 (0.51)
SCHEMBL6015708 0.78 KDM4E (0.55) TLR9TLR8TLR7
SCHEMBL6015975 0.78 GAA (0.53)
SCHEMBL6015988 0.74 PDE3B (0.41)
SCHEMBL4502393 0.74 KDM4E (0.49) PARP1
SCHEMBL9740015 0.72 SMN1; SMN2 (0.40) TLR8TLR7
SCHEMBL6015885 0.71 ALDH1A1 (0.43) PARP1ADORA2AADORA1
SCHEMBL5540470 0.71 CA12 (0.50)
SCHEMBL3502643 0.71 L3MBTL1 (0.47) HRH4TLR9TLR8TLR7PARP1

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