SCHEMBL10000169

SCHEMBL10000169

Cc1n[nH]c(=O)c(-c2ncc(Cl)cc2Cl)c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
DRD1 P21728 4/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
PSD A5PKW4 2/20 0.35
METAP2 P50579 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 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
SCHEMBL896712 0.91 GRIN2D (0.42) DRD1MAPTMEN1KMT2AMETAP2
SCHEMBL10000096 0.88 GRIN2D (0.43) DRD1MEN1KMT2AMETAP2GRIN2D
SCHEMBL896179 0.85 GRIN2D (0.41) DRD1MAPTMEN1KMT2APSD
SCHEMBL896388 0.82 DRD1 (0.40) DRD1MAPTMEN1KMT2APSD
SCHEMBL10000192 0.81 CNR2 (0.37) MEN1KMT2AKDRPTGS1PTGS2
SCHEMBL896645 0.79 MAPT (0.45) DRD1MAPTMEN1KMT2ATP53
SCHEMBL10131947 0.78 GRIN2D (0.36) DRD1MAPTMEN1KMT2AGRIN2D
SCHEMBL10000738 0.78 CNR2 (0.35) MEN1KMT2AKDRPTGS1PTGS2
SCHEMBL3607384 0.76 KMT2A (0.33) DRD1MAPTMEN1KMT2A
SCHEMBL10000171 0.76 SRC (0.34) MEN1KMT2AKDRPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020773-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed
WO-2012020775-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed
WO-2012020777-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed