SCHEMBL3843013

SCHEMBL3843013

Cc1nnc(Cl)c(-c2c(F)cccc2Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.43
PDE10A Q9Y233 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
PTGES O14684 3/20 0.36
MEN1 O00255 1/20 0.36
JAK2 O60674 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3847246 0.91 KMT2A (0.40) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL3861650 0.84 PDE2A (0.41) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL28028926 0.80 PDE2A (0.38) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL2348112 0.80 NPC1 (0.41) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL3844244 0.76 PDE2A (0.36) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL3846421 0.76 PDE2A (0.36) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL1870901 0.76 PTGES (0.38) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL3063136 0.76 PDE2A (0.36) PDE2APDE10ASMN1; SMN2LMNAMAPK1
SCHEMBL3063953 0.76 KMT2A (0.36) PDE2APDE10ALMNAKMT2AHPGD
SCHEMBL3570121 0.75 NPC1 (0.47) SMN1; SMN2LMNAMAPK1HTTPTGES

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-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed