SCHEMBL6525481

SCHEMBL6525481

NC(=O)c1ccccc1-n1nccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RIPK2 O43353 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
PLK1 P53350 2/20 0.39
METAP2 P50579 1/20 0.38
BCAT2 O15382 1/20 0.37
PARP1 P09874 3/20 0.37
DYRK1B Q9Y463 2/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
ADRA1A P35348 1/20 0.36
LMNA P02545 2/20 0.35
MAP2K1 Q02750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
RAB9A P51151 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
SCHEMBL15428646 0.82 NR3C2 (0.50) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL15428604 0.82 NR3C2 (0.50) KDM4EALDH1A1MAPTPARP1LMNA
SCHEMBL15428637 0.82 NR3C2 (0.51) NPC1RAB9ASMN1; SMN2NR3C2
SCHEMBL15428729 0.82 HSP90AA1 (0.36) NPC1RIPK2TSHRLMNANR3C2
SCHEMBL15428659 0.78 SCN9A (0.42) KDM4EALDH1A1MAPTLMNA
SCHEMBL3168308 0.77 POLB (0.53) RIPK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5334861 0.75 NPC1 (0.51) NPC1RIPK2KDM4EALDH1A1HPGD
SCHEMBL31227600 0.75 NPC1 (0.51) NPC1RIPK2KDM4EALDH1A1HPGD
SCHEMBL14334137 0.73 FLT3 (0.48) NPC1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4953424 0.72 POLB (0.43) NPC1RIPK2ALDH1A1HPGDRAB9A

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-1599463-A1 CYANO ANTHRANILAMIDE INSECTICIDES E.I. du Pont de Nemours and Company (US) 2005-11-30 EP disclosed
WO-2004067528-A1 CYANO ANTHRANILAMIDE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-12 WO disclosed