SCHEMBL3807488

SCHEMBL3807488

NNC(=O)Cc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CYP1A2 P05177 3/20 0.45
PRMT1 Q99873 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
CYP2C9 P11712 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1C4 P17516 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
SCHEMBL10876715 0.78 AKR1C4 (0.52) CA1CA2CA12CA9CYP1A2
SCHEMBL30545006 0.77 ALDH1A1 (0.65) ALDH1A1POLBRECQLMEN1KMT2A
SCHEMBL9523440 0.77 ALDH1A1 (0.65) ALDH1A1POLBRECQLMEN1KMT2A
SCHEMBL3692007 0.76 CA1 (0.48) CA1ALDH1A1HSP90AA1MEN1KMT2A
SCHEMBL16155868 0.74 CYP3A4 (0.54) CA1CA2CA12CA9CYP1A2
SCHEMBL3713890 0.73 AKR1C4 (0.60) ALDH1A1HSD17B10CYP3A4TSHRRECQL
SCHEMBL5723707 0.72 L3MBTL1 (0.51) CA1CA2CA12CA9CYP1A2
SCHEMBL21980997 0.72 CYP1A2 (0.44) CYP1A2ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL13816977 0.71 CYP3A4 (0.56) CA1CA2CA12CA9CYP1A2
SCHEMBL13888086 0.71 HSD17B10 (0.56) CA1CA2CA12CA9CYP1A2

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
EP-2605653-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2013-06-26 EP disclosed
WO-2012024494-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 WO disclosed
WO-2010083319-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed