SCHEMBL4700338

SCHEMBL4700338

O=c1nc[nH]n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.46
TLR8 Q9NR97 1/20 0.43
ALOX12 P18054 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP11B2 P19099 1/20 0.38
G6PD P11413 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM5B Q9UGL1 1/20 0.37
OPRM1 P35372 1/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10579361 0.77 MEN1 (0.44) ALOX12MEN1MAPTKMT2AKDM4E
SCHEMBL4700341 0.72 ALOX12 (0.48) HCAR1TLR8ALOX12MEN1MAPT
SCHEMBL30947058 0.69 HCAR1 (0.47) HCAR1ALOX12MEN1MAPTKMT2A
SCHEMBL30946978 0.69 AKR1B1 (0.35) HCAR1
SCHEMBL11301170 0.68 MAPT (0.44) HCAR1TLR8ALOX12MEN1MAPT
SCHEMBL30947158 0.66 KAT2B (0.38) HTTCYP11B2ALDH1A1KDM5BPOLB
SCHEMBL10956122 0.65 ALKBH5 (0.66) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL5075617 0.64 MGLL (0.59) TLR8ALOX12MEN1MAPTKMT2A
SCHEMBL8599860 0.64 TLR8 (0.49) HCAR1TLR8ALOX12MEN1MAPT
SCHEMBL31312968 0.64 CDK4 (0.47) HCAR1TLR8ALOX12MEN1MAPT

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 3 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 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