SCHEMBL6976971

SCHEMBL6976971

Cc1cc(Br)sc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
PTGES O14684 6/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
POLB P06746 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
SCHEMBL5726652 0.87 PKM (0.34) GAAPDE2APDE10APKMPKLR
SCHEMBL7526323 0.83 PDE2A (0.34) GAAPDE2APDE10APTGESLMNA
SCHEMBL953998 0.83 CSNK1D (0.35) PDE2APDE10APTGESLMNAMAPT
SCHEMBL5726912 0.82 NR1H2 (0.36) PDE2APDE10APTGESMAPTMAPK1
SCHEMBL6073454 0.82 PDE2A (0.33) GAAPDE2APDE10APTGESLMNA
SCHEMBL5726642 0.82 PDE2A (0.33) GAAPDE2APDE10APTGESLMNA
SCHEMBL5727053 0.82 PDE2A (0.33) GAAPDE2APDE10APTGESLMNA
SCHEMBL5727601 0.81 PTGES (0.39) GAAPDE2APDE10APTGESNR1H2
SCHEMBL6972041 0.81 PDE2A (0.34) GAAPDE2APDE10APTGESLMNA
SCHEMBL2933280 0.81 PDE2A (0.34) GAAPDE2APDE10APTGESLMNA

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 disclosed
US-6265424-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2001-07-24 US disclosed