SCHEMBL6016037

SCHEMBL6016037

COCCCNCc1ccc2[c]c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SCN8A Q9UQD0 3/20 0.36
CHRM2 P08172 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.35
TYMS P04818 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6016005 0.92 L3MBTL1 (0.44) KDM4EPOLBL3MBTL1CHRM2HTT
SCHEMBL6015701 0.86 SMN1; SMN2 (0.42) KDM4EPOLBL3MBTL1SCN8ATHRB
SCHEMBL6015645 0.82 TERT (0.44) KDM4EPOLBCHRM2LMNA
SCHEMBL6015894 0.77 ALDH1A1 (0.42) HDAC6KDM4EPOLBTDP1CYP2D6
SCHEMBL23105183 0.69 CHRM2 (0.51) KDM4EL3MBTL1SCN8ACHRM2THRB
SCHEMBL6015936 0.68 L3MBTL1 (0.48) POLBL3MBTL1MAPK1SLC2A1HTT
SCHEMBL28754835 0.68
SCHEMBL3857148 0.67 L3MBTL1 (0.54) KDM4EL3MBTL1SCN8ACHRM2THRB
SCHEMBL7316643 0.67 MAOA (0.64) KDM4ESCN8ACHRM2TDP1LMNA
SCHEMBL17423817 0.67

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 4 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