SCHEMBL6015646

SCHEMBL6015646

Cc1[c]cn(CC(=O)N2CCC(N3CCCCC3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
HPGD P15428 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
HSD17B10 Q99714 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CBX7 O95931 2/20 0.44
CDYL2 Q8N8U2 2/20 0.44
CDYL Q9Y232 2/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44

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
SCHEMBL2068285 0.83 KMT2A (0.43) ALDH1A1MAPTPOLBGAATSHR
SCHEMBL2067370 0.78 POLB (0.46) ALDH1A1MAPTPOLBIRAK4MEN1
SCHEMBL2067169 0.77 SMN1; SMN2 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6015702 0.77 KMT2A (0.46) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL3774050 0.71 KDM4E (0.73) KDM4EALDH1A1MAPTGAACBX7
SCHEMBL28269625 0.70 IRAK4 (0.57) CBX7CDYL2CDYLCDY1; CDY1BL3MBTL3
SCHEMBL16845725 0.70 IRAK4 (0.63) KDM4EALDH1A1MAPTG6PDHPGD
SCHEMBL12452076 0.69 MEN1 (0.56) KDM4EALDH1A1CYP2D6CYP2C19NPSR1
SCHEMBL6016055 0.69 CBX7 (0.55) POLBGAATSHRCYP2D6CYP2C19
SCHEMBL20807374 0.68 L3MBTL3 (0.53) KDM4EALDH1A1CYP2D6CYP2C19NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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