SCHEMBL6015922

SCHEMBL6015922

[c]1c[nH]c2c(OCCOC3CCCCO3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHEK1 O14757 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL6016054 0.82 MEN1 (0.34) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL6015756 0.76 KDM4C (0.42) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL6015722 0.75 MEN1 (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL31091152 0.74 KDM4C (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL1345450 0.73 KDM4C (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL9512181 0.72 KDM4C (0.44) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL12510434 0.72 MEN1 (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL27162889 0.71 KDM4C (0.43) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL17675580 0.71 L3MBTL1 (0.45) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL12634793 0.71 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1

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 2 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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed