SCHEMBL6972041

SCHEMBL6972041

Cn1nc(-c2c(F)cccc2Cl)nc1-c1scc(Br)c1Br

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 4/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 4/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL2933280 0.91 PDE2A (0.34) PDE2APDE10AKMT2AGAAPOLB
SCHEMBL6976749 0.86 PDE2A (0.35) PDE2APDE10AKMT2AGAAPOLB
SCHEMBL7527087 0.86 PDE2A (0.35) PDE2APDE10AKMT2AGAAPOLB
SCHEMBL5726642 0.83 PDE2A (0.33) PDE2APDE10AKMT2AGAANPC1
SCHEMBL6073454 0.83 PDE2A (0.33) PDE2APDE10AKMT2AGAANPC1
SCHEMBL5727053 0.83 PDE2A (0.33) PDE2APDE10AKMT2AGAANPC1
SCHEMBL7526323 0.81 PDE2A (0.34) PDE2APDE10AKMT2AGAANPC1
SCHEMBL5202950 0.81 HTT (0.36) PDE2APDE10AKMT2AGAAPOLB
SCHEMBL6976971 0.81 GAA (0.35) PDE2APDE10AKMT2AGAAPOLB
SCHEMBL5727216 0.81 GAA (0.35) PDE2APDE10AKMT2AGAAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123290-B1 3-(SUBSTITUTED PHENYL)-5-THIENYL-1,2,4-TRIAZOLE COMPOUNDS WITH ACTIVITY AGAINST WHITEFLY DOW AGROSCIENCES LLC (US) 2003-02-19 EP claimed
US-6265424-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2001-07-24 US claimed