SCHEMBL8304720

SCHEMBL8304720

CC(=O)OCc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GALR3 O60755 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B2 P37059 1/20 0.37
SCN9A Q15858 4/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN5A Q14524 2/20 0.35

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
SCHEMBL8942726 0.87 KMT2A (0.39) CYP1A2CYP2C19SMN1; SMN2HSD17B2SCN9A
SCHEMBL8298161 0.85 HSD17B2 (0.39) HTTSMN1; SMN2NPC1RAB9AHSD17B2
SCHEMBL8300795 0.84 NR1H2 (0.40) HTTSMN1; SMN2NPC1RAB9AHSD17B2
SCHEMBL8300261 0.83 NR1H2 (0.39) HTTSMN1; SMN2NPC1RAB9AHSD17B2
SCHEMBL8305282 0.80 NR1H2 (0.35) SMN1; SMN2HSD17B2SCN9AMAPTNR1H2
SCHEMBL8304787 0.80 MAPT (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8298660 0.80 MAPT (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8303453 0.79 HSD17B2 (0.44) NPC1RAB9AHSD17B2CYP2C9KMT2A
SCHEMBL8304815 0.79 NR1H2 (0.43) HTTSMN1; SMN2NPC1RAB9AHSD17B2
SCHEMBL8303293 0.78 SIGMAR1 (0.40) NPC1RAB9AHSD17B2NR1H2NR1H3

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