SCHEMBL6603607

SCHEMBL6603607

CN(C)C(=O)C=Cc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 2/20 0.49
HPGD P15428 6/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 6/20 0.47
RAB9A P51151 4/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL17133886 0.86 HPGD (0.52) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL17133887 0.86 HPGD (0.52) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL4105481 0.80 HDAC1 (0.57) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL1585941 0.79 POLB (0.53) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL1585939 0.79 POLB (0.53) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL4912952 0.78 NFE2L2 (0.48)
SCHEMBL976869 0.78 POLB (0.56) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL976868 0.78 POLB (0.56) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL909922 0.76 POLB (0.59) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL6812083 0.76 POLB (0.54) MAPTALDH1A1SMN1; SMN2LMNATP53

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
US-6821992-B1 ESPECIALLY AGAINST FUNGAL DISEASES OF PLANTS, E.G. MILDEWS AND PARTICULARLY CEREAL POWDERY MILDEW (ERYSIPHE GRAMINIS) AND VINE DOWNY MILDEW (PLASMOPARA VITICOLA), RICE BLAST (PYRICULARIA ORYZAE), ETC. AVENTIS CROPSCIENCE S.A. (FR) 2004-11-23 US disclosed
EP-1204323-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2004-07-14 EP disclosed