SCHEMBL6015841

SCHEMBL6015841

O=C(NCCCn1ccnc1)c1cccc2[c]c[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL10856486 0.78 MEN1 (0.70) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL6015763 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2NPC1TSHR
SCHEMBL11010135 0.78 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552522 0.78 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL12323976 0.77 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL10655218 0.77 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552420 0.77 MEN1 (0.83) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL6015695 0.76 DRD2 (0.47) KMT2AHSD17B10SMN1; SMN2ALDH1A1MAPK1
SCHEMBL14552369 0.76 MEN1 (0.67) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552392 0.75 MEN1 (0.66) MEN1KMT2AHSD17B10SMN1; SMN2NPC1

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
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