SCHEMBL8300459

SCHEMBL8300459

COc1ccc(C#N)cc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
AR P10275 4/20 0.42
THRB P10828 1/20 0.41
LIPE Q05469 2/20 0.41
MEN1 O00255 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NR3C1 P04150 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8304006 0.95 SMN1; SMN2 (0.55) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL8299427 0.86 HPGD (0.49) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL8301141 0.84 KMT2A (0.61) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL8304647 0.84 KMT2A (0.61) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL24401108 0.80 KMT2A (0.50) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL18223690 0.79 KDM1A (0.58) SMN1; SMN2TSHRPTGDR2
SCHEMBL11114747 0.78 TSHR (0.76) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A
SCHEMBL6982061 0.77 MAPT (0.57) SMN1; SMN2TSHRKMT2AMAPTMAPK1
SCHEMBL8301624 0.77 CYP1A2 (0.54) SMN1; SMN2HPGDKMT2APOLBLMNA
SCHEMBL30731743 0.75 MAPK1 (0.62) SMN1; SMN2TSHRL3MBTL1HPGDKMT2A

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