SCHEMBL8300281

SCHEMBL8300281

Cn1nc(-c2ccccc2Cl)nc1-c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LIPE Q05469 6/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 5/20 0.40
IDO1 P14902 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 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
SCHEMBL8299568 0.87 THRB (0.44) KMT2ALIPETHRBMAPK1HSD11B1
SCHEMBL8300833 0.81 KMT2A (0.50) KMT2ALIPEMAPK1HSD11B1LMNA
SCHEMBL8877368 0.74 PDE2A (0.44) HSD11B1L3MBTL1
SCHEMBL9830131 0.74 HSD11B1 (0.52) HSD11B1
SCHEMBL8879518 0.74 MAOB (0.41) HSD11B1L3MBTL1
SCHEMBL8876335 0.74 PDE2A (0.40) KMT2AMAPK1HSD11B1L3MBTL1
SCHEMBL8876330 0.73 ADORA2A (0.40) HSD11B1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL8877623 0.73 ATM (0.47) KMT2AHSD11B1LMNAMAPTSMN1; SMN2
SCHEMBL8304887 0.73 HSD11B1 (0.55) HSD11B1LMNAGAAMAPTSMN1; SMN2
SCHEMBL9830823 0.71 HSD11B1 (0.62) MAPK1HSD11B1

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-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