SCHEMBL6015844

SCHEMBL6015844

NC(=O)Cn1cc(/C=C2/Sc3ccccc3NC2=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
PARP1 P09874 9/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
DHFR P00374 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
SCHEMBL6015847 1.00 KMT2A (0.62) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL7615155 0.79 PARP1 (0.49) KMT2AMEN1PARP1MAPTSMN1; SMN2
SCHEMBL1249239 0.77 KMT2A (0.66) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL1249238 0.77 KMT2A (0.66) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL12892091 0.77 KMT2A (0.66) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL6015951 0.77 PARP1 (0.45) KMT2AMEN1PARP1MAPTSMN1; SMN2
SCHEMBL8686384 0.74 PARP1 (0.61) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL8686383 0.74 PARP1 (0.61) KMT2AMEN1PARP1MAPTALDH1A1
SCHEMBL1520957 0.71 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL30718481 0.71 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1L3MBTL1LMNA

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
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