SCHEMBL6015783

SCHEMBL6015783

O=C(NCCc1ccccn1)c1cccc2[c]c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNA5 P22460 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNA3 P22001 1/20 0.45
POLR1A O95602 1/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6015639 0.77 RAB9A (0.51) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL7616717 0.77 PBK (0.52)
SCHEMBL6015846 0.75 MAPK1 (0.50) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL9581656 0.74 L3MBTL1 (0.40) ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL4703237 0.74 POLB (0.59) ALDH1A1POLBRAB9ANPC1MEN1
SCHEMBL10352493 0.74 POLB (0.56) ALDH1A1POLBKDM4ERAB9ANPC1
SCHEMBL8722345 0.71 KMT2A (0.65) ALDH1A1POLBRAB9ANPC1MEN1
SCHEMBL483578 0.71 RAB9A (0.74) ALDH1A1POLBRAB9ANPC1MEN1
SCHEMBL6369514 0.71 KCNA5 (0.58) ALDH1A1POLBKDM4ERAB9ANPC1
SCHEMBL6015658 0.71 CYP1A2 (0.47) ALDH1A1POLBKDM4EMEN1KMT2A

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