SCHEMBL6015644

SCHEMBL6015644

NC(=O)Cn1c[c]c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.36
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.33
CNR2 P34972 1/20 0.33
APEX1 P27695 1/20 0.33
BRCA1 P38398 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL6015950 0.84 KMT2A (0.50) ALDH1A1LMNAKDM4EKMT2AMEN1
SCHEMBL9581979 0.76
SCHEMBL6015734 0.73 KMT2A (0.50) ALDH1A1L3MBTL1KMT2AMAPK1POLB
SCHEMBL6015632 0.73 SIGMAR1 (0.41) ALDH1A1L3MBTL1LMNAKMT2ACYP2C19
SCHEMBL9581901 0.73 BCHE (0.35) HPGDL3MBTL1LMNAKDM4EKMT2A
SCHEMBL6015880 0.71 POLB (0.51) HPGDALDH1A1KDM4EKMT2ANPC1
SCHEMBL2836181 0.70 CAMK2D (0.38)
SCHEMBL6236614 0.69 SLC9A1 (0.37) HPGDALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL19713574 0.69 CYP1A2 (0.34) KDM4ECYP2C19
SCHEMBL694560 0.69 TNF (0.44) ALDH1A1L3MBTL1LMNAKDM4EKMT2A

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
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