SCHEMBL6976749

SCHEMBL6976749

Cc1c(Cl)csc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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) PDE2APDE10ALMNASMN1; SMN2MAPK1
SCHEMBL7527087 0.90 PDE2A (0.35) PDE2APDE10ALMNASMN1; SMN2MAPK1
SCHEMBL6972041 0.86 PDE2A (0.34) PDE2APDE10ALMNASMN1; SMN2MAPK1
SCHEMBL6074574 0.84 HSD17B2 (0.36) LMNASMN1; SMN2NR1H2NR1H3KMT2A
SCHEMBL5727483 0.83 ALDH1A1 (0.34) PDE2APDE10ASMN1; SMN2HTTNR1H2
SCHEMBL5202950 0.83 HTT (0.36) PDE2APDE10ALMNASMN1; SMN2MAPK1
SCHEMBL5726859 0.82 KDM4E (0.41) SMN1; SMN2HTTNR1H2NR1H3PTGES
SCHEMBL5727274 0.81 TP53 (0.35) PDE2APDE10ASMN1; SMN2NR1H2NR1H3
SCHEMBL5727213 0.81 NR1H2 (0.42) PDE2APDE10ALMNASMN1; SMN2MAPK1
SCHEMBL5726682 0.81 NR1H2 (0.34) PDE2APDE10ALMNASMN1; SMN2NR1H2

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