SCHEMBL4699125

SCHEMBL4699125

NC(=O)n1cnn(-c2cccc3ccccc23)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
P2RX4 Q99571 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HCAR1 Q9BXC0 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
BCHE P06276 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 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
SCHEMBL4702506 0.75 RIPK2 (0.45) SLC9A1SLC9A2POLBMAPK1NPC1
SCHEMBL859246 0.64 NPC1 (0.50) SLC9A1SLC9A2POLBMAPK1NPC1
SCHEMBL27916120 0.64 NPC1 (0.50) POLBMAPK1NPC1ALDH1A1GSK3A
SCHEMBL9818549 0.64 POLB (0.52) SLC9A1SLC9A2POLBMAPK1NPC1
SCHEMBL30735738 0.64 USP2 (0.55) POLBALDH1A1KDM4EHSD17B10HPGD
SCHEMBL19284728 0.64 USP2 (0.55) POLBALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6312297 0.63 ALDH1A1 (0.55) SLC9A1SLC9A2MAPK1ALDH1A1KDM4E
SCHEMBL7446196 0.63 KDM4E (0.44) P2RX4POLBNPC1ALDH1A1HCAR1
SCHEMBL152339 0.62 TLR9 (0.64) POLBALDH1A1GSK3AGSK3BHSD17B10
SCHEMBL11826902 0.62 POLB (0.63) POLBMAPK1NPC1ALDH1A1GSK3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP claimed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US claimed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP claimed
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 EP disclosed