SCHEMBL6629379

SCHEMBL6629379

O=C(Nc1ccccc1)On1ccc(-c2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
NR4A2 P43354 1/20 0.43
HSP90AA1 P07900 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.41
PIM1 P11309 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
FLT3 P36888 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL6634859 0.77 RAB9A (0.41) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6632740 0.77 CYP2C9 (0.46) NPC1RAB9ASMN1; SMN2LMNAADORA3
SCHEMBL6631787 0.76 KMT2A (0.42) NPC1RAB9ASMN1; SMN2LMNAHSP90AA1
SCHEMBL6633229 0.76 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6632002 0.76 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAADORA3
SCHEMBL5646294 0.74 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6632687 0.74 AURKA (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6635974 0.74 MAPT (0.43) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL5649651 0.73 CYP2C9 (0.46) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL27406517 0.72 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed