SCHEMBL6015763

SCHEMBL6015763

O=C(NCCCn1ccnc1)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.58
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 2/20 0.55
CYP19A1 P11511 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
NAMPT P43490 1/20 0.54
ADORA2A P29274 1/20 0.53
GAA P10253 1/20 0.53
RAD52 P43351 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL21098369 0.80 SMN1; SMN2 (0.89) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL10822114 0.79 NAMPT (0.71) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL6015841 0.78 MEN1 (0.62) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL13373319 0.78 NPC1 (0.61) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL6015856 0.77 RAD52 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16869435 0.76 CYP19A1 (0.70) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL4484066 0.76 SMN1; SMN2 (0.80) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL10853932 0.76 MEN1 (1.00) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL95881 0.75 SMN1; SMN2 (0.78) MEN1KMT2ASMN1; SMN2NPC1POLB
SCHEMBL6571604 0.75 SMN1; SMN2 (0.84) MEN1KMT2ASMN1; SMN2NPC1POLB

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 2 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