SCHEMBL6015799

SCHEMBL6015799

[c]1c[nH]c2nc(OCCN3CCCC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
LTA4H P09960 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
SCN7A Q01118 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL6015911 0.99 MEN1 (0.43) MEN1MAPTKMT2ALTA4HTDP1
SCHEMBL6015820 0.99 MEN1 (0.43) MEN1MAPTKMT2ALTA4HTDP1
SCHEMBL7614022 0.73 MKNK1 (0.38) LTA4HHRH3
SCHEMBL6015805 0.72 LTA4H (0.56) LTA4HHRH3
SCHEMBL7647550 0.72 MEN1 (0.38) MEN1MAPTKMT2ALTA4HSIGMAR1
SCHEMBL6015878 0.71 TSHR (0.51) TDP1TSHRHRH3
SCHEMBL6016063 0.71 LTA4H (0.55) KMT2ALTA4HHRH3
SCHEMBL6015938 0.71 TSHR (0.51) TDP1TSHRHRH3
SCHEMBL6015872 0.71 LTA4H (0.55) KMT2ALTA4HHRH3
SCHEMBL6015916 0.69 LTA4H (0.60) LTA4HHRH3

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