SCHEMBL6015884

SCHEMBL6015884

CCOCCCNCC(=O)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6015894 0.89 ALDH1A1 (0.42) HPGDRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6015656 0.87 ALDH1A1 (0.39) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL6015672 0.81 EPHX1 (0.33) HPGDALDH1A1KMT2AMAPT
SCHEMBL27620069 0.81 TSHR (0.37) RAB9ASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL6015845 0.81 KDM4E (0.31) HPGDNPC1KDM4EALDH1A1HTT
SCHEMBL6016013 0.80 ALDH1A1 (0.37) HPGDSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL6015881 0.76 HPGD (0.32) HPGDRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6016047 0.75 HTR3A (0.39) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL6015948 0.74 HTR3A (0.41) HPGDKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL6015815 0.71 DPP4 (0.31)

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 6 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
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