SCHEMBL6947500

SCHEMBL6947500

Cn1nc(-c2ccccc2Cl)nc1-c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HSD11B1 P28845 4/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B2 P37059 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
SCD O00767 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CNR2 P34972 1/20 0.36
ATM Q13315 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
SCHEMBL6951032 0.83 MEN1 (0.43) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL8304887 0.81 HSD11B1 (0.55) NR1H2NR1H3NPC1RAB9AHSD11B1
SCHEMBL6951559 0.80 MEN1 (0.45) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6972656 0.80 MEN1 (0.47) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL8301501 0.78 RAB9A (0.51) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL24409819 0.76 MEN1 (0.55) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL8303627 0.76 HSD11B1 (0.45) NR1H2NR1H3NPC1RAB9AHSD11B1
SCHEMBL6946561 0.75 KDM4E (0.44) MEN1KMT2ANR1H2NR1H3NPC1
SCHEMBL6951494 0.75 DPP4 (0.42) KMT2ANR1H2NR1H3NPC1RAB9A
SCHEMBL10941382 0.75 HSD11B1 (0.50) NR1H2NR1H3NPC1RAB9AHSD11B1

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
EP-0559363-B1 3-Phenyl-5-pyridyl triazoles and their use as insecticides KUMIAI CHEMICAL INDUSTRY CO (JP) 2003-10-29 EP disclosed
US-5380944-A Benzhydrazone derivatives as an intermediate for the production of triazole derivatives KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
US-5284860-A Aphids, especially KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 1994-02-08 US disclosed
EP-0559363-A1 3-Phenyl-5-pyridyl triazoles and their use as insecticides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-08 EP disclosed