SCHEMBL6015872

SCHEMBL6015872

[c]1c[nH]c2cc(OCCN3CCCCCC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
HRH3 Q9Y5N1 6/20 0.51
PSMB1 P20618 5/20 0.50
PSMB5 P28074 5/20 0.50
PSMB2 P49721 4/20 0.50
BACE1 P56817 1/20 0.48
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL6016063 1.00 LTA4H (0.55) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6015805 0.99 LTA4H (0.56) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6015732 0.90 LTA4H (0.59) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6015916 0.88 LTA4H (0.60) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6016018 0.87 KDM4E (0.55) LTA4HHRH3KDM4EKMT2A
SCHEMBL6015785 0.77 ALDH1A1 (0.55) LTA4HHRH3KDM4EKMT2A
SCHEMBL6015740 0.77 HRH3 (0.47) HRH3
SCHEMBL17384760 0.76 LTA4H (0.84) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL1797351 0.76 PARP1 (0.62) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6015874 0.76 MAOA (0.41)

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