SCHEMBL6015936

SCHEMBL6015936

COCCNCc1ccc2cc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RAD52 P43351 1/20 0.47
PAX8 Q06710 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.44
NLRP3 Q96P20 2/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39
BACE1 P56817 2/20 0.39
SLC2A1 P11166 1/20 0.39
AHR P35869 3/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL4405172 0.80 NLRP3 (0.43) MEN1POLBMAPK1KMT2AABL1
SCHEMBL28853730 0.79 MEN1 (0.53) MEN1POLBMAPK1KMT2AABL1
SCHEMBL1607615 0.77 MEN1 (0.55) MEN1POLBMAPK1KMT2AABL1
SCHEMBL1253354 0.77 NLRP3 (0.48) MEN1POLBMAPK1KMT2AABL1
SCHEMBL27672793 0.76 MEN1 (0.50) MEN1POLBMAPK1KMT2AABL1
SCHEMBL14286594 0.76 L3MBTL1 (0.52) L3MBTL1RAD52PAX8POLBHTT
SCHEMBL6016005 0.75 L3MBTL1 (0.44) L3MBTL1RAD52PAX8POLBKMT2A
SCHEMBL23022939 0.75 GAA (0.53) MEN1KMT2ANLRP3DRD2DRD4
SCHEMBL11954285 0.74 LTA4H (0.47) ABL1NLRP3
SCHEMBL1617320 0.74 CYP2A6 (0.44) MEN1POLBMAPK1KMT2AABL1

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 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