SCHEMBL3757899

SCHEMBL3757899

C=Cc1cccc[n+]1[O-].C=Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
NR4A1 P22736 1/20 0.39
MAOA P21397 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
GRM4 Q14833 1/20 0.33
NFE2L2 Q16236 2/20 0.32
MAOB P27338 1/20 0.32
IKBKB O14920 1/20 0.32
RAF1 P04049 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MAPK1 P28482 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
KDR P35968 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL29490961 0.82
SCHEMBL79940 0.82
SCHEMBL9359592 0.78 MEN1 (0.67) MEN1NPC1RAB9AKMT2AATM
SCHEMBL29371456 0.78
SCHEMBL15193 0.78
SCHEMBL4365400 0.77 MEN1 (0.58) MEN1NPC1RAB9AKMT2AATM
Iodide SCHEMBL10987579 0.76 MEN1 (0.64) MEN1NPC1RAB9AKMT2AATM
Phosphine SCHEMBL3755463 0.76
Iodide SCHEMBL1274592 0.76
SCHEMBL7621695 0.76

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-20100016392-A1 Pesticidal Aggregates INNOVAFORM TECHNOLOGIES, LLC (US) 2010-01-21 US disclosed
CN-101600344-A Pesticidal aggregates INNOVAFORM TECHNOLOGIES LLC (US) 2009-12-09 CN disclosed
EP-2091323-A2 PESTICIDAL AGGREGATES Innovaform Technologies, LLC (US) 2009-08-26 EP disclosed
WO-2008076807-A2 PESTICIDAL AGGREGATES INNOVAFORM TECHNOLOGIES, LLC (US) 2008-06-26 WO disclosed