SCHEMBL6016005

SCHEMBL6016005

COCCNCc1ccc2[c]c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.38
PAX8 Q06710 1/20 0.38
PRKD1 Q15139 1/20 0.35
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTR2A P28223 3/20 0.34
P4HTM Q9NXG6 1/20 0.33
ITK Q08881 1/20 0.32
BRAF P15056 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 2/20 0.32

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
SCHEMBL6016037 0.92 HDAC6 (0.39) L3MBTL1HTTRAD52PAX8KDM4E
SCHEMBL6015701 0.81 SMN1; SMN2 (0.42) L3MBTL1KDM4EPOLBALDH1A1KMT2A
SCHEMBL6015645 0.78 TERT (0.44) KDM4EPOLBCHRM2
SCHEMBL6015936 0.75 L3MBTL1 (0.48) L3MBTL1HTTRAD52PAX8POLB
SCHEMBL6352792 0.72 KIF11 (0.41) L3MBTL1KDM4EALDH1A1
SCHEMBL6347092 0.70 GAA (0.43)
SCHEMBL6016015 0.69 ALDH1A1 (0.53) L3MBTL1KDM4EHTR2AALDH1A1KMT2A
SCHEMBL15372655 0.69 L3MBTL1 (0.54) L3MBTL1HTTRAD52PAX8CHEK1
SCHEMBL6346133 0.69 MAOA (0.33)
SCHEMBL17423817 0.69

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