SCHEMBL8303496

SCHEMBL8303496

COc1ccc(-c2nc(-c3c(F)cccc3F)nn2C)cc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSEN1 P49768 10/20 0.40
PSEN2 P49810 10/20 0.40
APH1B Q8WW43 10/20 0.40
NCSTN Q92542 10/20 0.40
APH1A Q96BI3 10/20 0.40
PSENEN Q9NZ42 10/20 0.40
MAP4K1 Q92918 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
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
SCHEMBL8304023 0.91 KMT2A (0.44) TSHRSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL8298899 0.89 KMT2A (0.47) TSHRSMN1; SMN2MAP4K1HPGDL3MBTL1
SCHEMBL8300520 0.89 KMT2A (0.47) TSHRSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL8303158 0.86 KMT2A (0.48) TSHRSMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL8304314 0.86 KMT2A (0.48) TSHRSMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL8300716 0.85 KMT2A (0.45) TSHRSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL8303629 0.80 HPGD (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8304863 0.79 HPGD (0.48) SMN1; SMN2HPGDL3MBTL1MAPTKMT2A
SCHEMBL4611868 0.76 HSD17B2 (0.48) MAPTNPSR1
SCHEMBL8303920 0.76 HPGD (0.47) SMN1; SMN2HPGDL3MBTL1MAPTKMT2A

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