SCHEMBL6632740

SCHEMBL6632740

O=C(Nc1ccccc1)On1cc(-c2ccccn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
NR4A2 P43354 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.42
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 4/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL6637485 0.78 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6631247 0.78 ATR (0.40) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6629379 0.77 NPC1 (0.46) CYP2C9NR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL6636297 0.76 MEN1 (0.43) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6630652 0.76 GAA (0.45) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6635964 0.76 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL6626553 0.74 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL29739476 0.69 ALDH1A1 (0.57) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL27091696 0.68 TRPV1 (0.59) CYP2C9NR4A2CNR1TRPV1
SCHEMBL14082180 0.67 TRPV1 (0.75) NPC1RAB9ASMN1; SMN2POLBMEN1

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-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed