SCHEMBL3211277

SCHEMBL3211277

Cc1cc(Cl)c(C(=O)Nc2ncc(Br)cc2Cl)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.38
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HTT P42858 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
SCHEMBL3211274 0.82 GAA (0.38) SMN1; SMN2ALDH1A1MAPK1MAPTPOLB
SCHEMBL6030456 0.79 MEN1 (0.39) SMN1; SMN2ALDH1A1MAPK1MAPTPOLB
SCHEMBL6030958 0.78 MAPK1 (0.37) SMN1; SMN2ALDH1A1MAPK1MAPTPOLB
SCHEMBL7081843 0.77 TAAR1 (0.41) SMN1; SMN2ALDH1A1MAPK1MAPTPOLB
SCHEMBL26608490 0.71 POLB (0.54) SMN1; SMN2ALDH1A1MAPK1MAPTPOLB
SCHEMBL5746291 0.71 LMNA (0.44) MAPTGAARXFP1
SCHEMBL2436948 0.69 GRM1 (0.45) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL22558695 0.69 NPC1 (0.53) SMN1; SMN2ALDH1A1MAPTPOLBGAA
SCHEMBL29235222 0.68 KMT2A (0.55) SMN1; SMN2MAPK1MAPTKMT2ANPC1
SCHEMBL31026874 0.68 KMT2A (0.55) SMN1; SMN2MAPK1MAPTKMT2ANPC1

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
US-20100048700-A1 LIQUID FORMULATION OF PYRETHROIDS BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
EP-2099748-A1 INSECTICIDAL BENZAMIDINES Bayer CropScience Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2007131680-A1 INSECTICIDAL BENZAMIDINES BAYER CROPSCIENCE AG (DE) 2007-11-22 WO disclosed