SCHEMBL8301501

SCHEMBL8301501

Cc1cccc(-c2nc(-c3ccccc3Cl)nn2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NR1H2 P55055 2/20 0.51
NR1H3 Q13133 2/20 0.51
NPC1 O15118 2/20 0.51
TDP2 O95551 1/20 0.46
HSD17B2 P37059 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HSD11B1 P28845 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.42
PBRM1 Q86U86 2/20 0.41
MAT2A P31153 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL27525449 0.84 NR1H2 (0.45) RAB9ANR1H2NR1H3NPC1HSD17B2
SCHEMBL8304887 0.83 HSD11B1 (0.55) RAB9ANR1H2NR1H3NPC1TDP2
SCHEMBL4611822 0.81 NR1H2 (0.47) RAB9ANR1H2NR1H3NPC1TDP2
SCHEMBL8303627 0.81 HSD11B1 (0.45) RAB9ANR1H2NR1H3NPC1TDP2
SCHEMBL26753736 0.80 NR1H2 (0.42) RAB9ANR1H2NR1H3NPC1SMN1; SMN2
SCHEMBL11560325 0.79 NR1H2 (0.54) RAB9ANR1H2NR1H3NPC1TDP2
SCHEMBL11553734 0.78 TDP2 (0.53) RAB9ANR1H2NR1H3NPC1TDP2
SCHEMBL6947500 0.78 MEN1 (0.52) RAB9ANR1H2NR1H3NPC1HSD17B2
SCHEMBL10941382 0.77 HSD11B1 (0.50) RAB9ANR1H2NR1H3NPC1SMN1; SMN2
SCHEMBL10939886 0.77 HSD11B1 (0.46) RAB9ANR1H2NR1H3NPC1TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
EP-0036711-B1 PESTICIDAL HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM, AND THEIR USE FBC LIMITED (GB) 1985-12-04 EP disclosed
US-4414221-A MITICIDES, INSECTICIDES, APHIDICIDES FBC LIMITED (GB) 1983-11-08 US disclosed
EP-0036711-A2 Pesticidal heterocyclic compounds, processes for preparing them, compositions containing them, and their use FBC LIMITED (GB) 1981-09-30 EP disclosed