SCHEMBL14734834

SCHEMBL14734834

Cc1cc(Br)cc(C(=O)NC(C)C2CC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
RIPK1 Q13546 1/20 0.37
EPHX2 P34913 1/20 0.37
CNR2 P34972 2/20 0.36
IDO1 P14902 2/20 0.36
P2RX7 Q99572 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL14734843 0.88 NPC1 (0.40) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL591754 0.84 NPC1 (0.47) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL3206636 0.83 ALOX5 (0.46) NPC1RAB9AKDM4ELMNAMAPK1
SCHEMBL2695326 0.81 EGLN1 (0.42) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL589973 0.77 NPC1 (0.46) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL17238837 0.75 MAOA (0.34) KDM4ELMNA
SCHEMBL634151 0.75 KDM4E (0.42) NPC1KDM4EMAPK1
SCHEMBL2693742 0.74 IRAK4 (0.40) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL2694674 0.74 NPC1 (0.54) SMYD3NPC1RAB9AJAK2JAK1
SCHEMBL14735049 0.74 PIM1 (0.47) NPC1RAB9AKDM4E

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-2564706-A1 Anthranilamide insecticides E. I. du Pont de Nemours and Company (US) 2013-03-06 EP claimed
CN-101061103-B Anthranilamide insecticides DU PONT 2012-12-12 CN claimed