SCHEMBL6015756

SCHEMBL6015756

[c]1c[nH]c2nc(OCCOC3CCCCO3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK1 O14757 1/20 0.32
P2RX3 P56373 3/20 0.31

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
SCHEMBL6015922 0.76 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6015722 0.76 MEN1 (0.46) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL6016054 0.73 MEN1 (0.34) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL23648706 0.72 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL26982209 0.72 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL5217641 0.72 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL17768193 0.72 KDM4C (0.49) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL7997302 0.70 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL5372239 0.70 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL3294827 0.70 KDM4C (0.44) KDM4CL3MBTL1NPC1RAB9AMEN1

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