SCHEMBL3692007

SCHEMBL3692007

NNC(=O)Cc1cccc(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
ACHE P22303 1/20 0.48
KCNJ5 P48544 4/20 0.44
KCNJ3 P48549 4/20 0.44
HSP90AA1 P07900 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNJ6 P48051 1/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B2 P37059 1/20 0.41
KLKB1 P03952 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK8 P45983 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2828642 0.84 KCNJ5 (0.56) KCNJ5KCNJ3NPC1RAB9AKCNJ6
SCHEMBL28046920 0.81 P2RX7 (0.48) KCNJ5KCNJ3NPC1RAB9AKCNJ6
SCHEMBL71912 0.78 AKR1B1 (0.59) HSP90AA1AKR1B10UGT1A9TRPA1ABCB11
SCHEMBL9527443 0.78 KMT2A (0.61) KMT2AMEN1MAPTADRA1A
SCHEMBL28094939 0.77 HSP90AA1 (0.47) CA1ACHEHSP90AA1NPC1RAB9A
SCHEMBL30465077 0.76 PTGS2 (0.71) CA1ACHEKMT2AAKR1B10UGT1A9
SCHEMBL577718 0.76 PTGS2 (0.71) CA1ACHEKMT2AAKR1B10UGT1A9
SCHEMBL3807488 0.76 CA1 (0.47) CA1HSP90AA1ERCC1ERCC4KMT2A
SCHEMBL573718 0.75 GABRA1 (0.70) CA1ACHEHSP90AA1NPC1RAB9A
SCHEMBL5738109 0.74 AKR1B1 (0.61) CA1MAPT

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
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed
WO-2010083316-A2 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO disclosed