SCHEMBL8304023

SCHEMBL8304023

COc1cc(-c2nc(-c3c(F)cccc3Cl)nn2C)ccc1Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
PSEN1 P49768 9/20 0.39
PSEN2 P49810 9/20 0.39
APH1B Q8WW43 9/20 0.39
NCSTN Q92542 9/20 0.39
APH1A Q96BI3 9/20 0.39
PSENEN Q9NZ42 9/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ORAI1 Q96D31 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL8303158 0.92 KMT2A (0.48) KMT2ASMN1; SMN2TSHRL3MBTL1HPGD
SCHEMBL8304314 0.92 KMT2A (0.48) KMT2ASMN1; SMN2TSHRL3MBTL1HPGD
SCHEMBL8300716 0.92 KMT2A (0.45) KMT2ASMN1; SMN2TSHRPSEN1PSEN2
SCHEMBL8303496 0.91 TSHR (0.47) KMT2ASMN1; SMN2TSHRPSEN1PSEN2
SCHEMBL8303629 0.90 HPGD (0.46) KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL8300520 0.89 KMT2A (0.47) KMT2ASMN1; SMN2TSHRPSEN1PSEN2
SCHEMBL8298899 0.89 KMT2A (0.47) KMT2ASMN1; SMN2TSHRL3MBTL1HPGD
SCHEMBL8303920 0.83 HPGD (0.47) KMT2ASMN1; SMN2L3MBTL1HPGDMEN1
SCHEMBL8304674 0.82 GABRA5 (0.38) KMT2AL3MBTL1ORAI1MEN1POLB
SCHEMBL8942500 0.81 MRGPRX4 (0.41) KMT2AMEN1POLBMAPT

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 3 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-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