SCHEMBL5202950

SCHEMBL5202950

Cc1ccsc1-c1nc(-c2c(F)cccc2Cl)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.36
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34

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
SCHEMBL6976749 0.83 PDE2A (0.35) HTTKDM4EPDE2APDE10APOLB
SCHEMBL7527087 0.83 PDE2A (0.35) HTTKDM4EPDE2APDE10APOLB
SCHEMBL2933280 0.81 PDE2A (0.34) HTTPDE2APDE10APOLBSMN1; SMN2
SCHEMBL6972041 0.81 PDE2A (0.34) HTTPDE2APDE10APOLBSMN1; SMN2
SCHEMBL6209661 0.81 PDE2A (0.37) HTTKDM4EPDE2APDE10APOLB
SCHEMBL5202844 0.81 PDE2A (0.35) HTTKDM4EPDE2APDE10ASMN1; SMN2
SCHEMBL6976971 0.80 GAA (0.35) HTTCYP3A4PDE2APDE10APOLB
SCHEMBL6969367 0.80 CYP2A6 (0.42) HTTCYP3A4CYP2C19KDM4ECYP1A2
SCHEMBL6208730 0.80 PDE2A (0.39) HTTKDM4EPDE2APDE10ASMN1; SMN2
SCHEMBL7526323 0.79 PDE2A (0.34) HTTKDM4EPDE2APDE10ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123291-B1 PROCESS FOR PREPARING 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES AND NOVEL INTERMEDIATES UTILIZED THEREIN DOW AGROSCIENCES LLC (US) 2007-07-18 EP disclosed
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-6329528-B1 REACTING ALKYL BENZTHIOIMIDATE OR ITS ACID ADDITION SALT WITH FURAN OR THIOFURAN ACID CHLORIDE COMPOUND TO PRODUCT ADDUCT-INTERMEDIATE; REACTING WITH METHYLHYDRAZINE TO PRODUCE 3-(SUBSTITUTED PHENYL)-5-THIENYL OR FURYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC 2001-12-11 US disclosed
EP-1123290-A1 3-(SUBSTITUTED PHENYL)-5-THIENYL-1,2,4-TRIAZOLE COMPOUNDS WITH ACTIVITY AGAINST WHITEFLY Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
US-6265424-B1 INSECTICIDES, MITICIDES DOW AGROSCIENCES LLC 2001-07-24 US disclosed
WO-2000024737-A1 3-(SUBSTITUTED PHENYL)-5-THIENYL-1,2,4-TRIAZOLE COMPOUNDS WITH ACTIVITY AGAINST WHITEFLY DOW AGROSCIENCES LLC (US) 2000-05-04 WO disclosed