SCHEMBL10080304

SCHEMBL10080304

O=C(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.55
CES2 O00748 4/20 0.55
LTA4H P09960 1/20 0.46
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
BACE1 P56817 1/20 0.43
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRM5 P41594 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL10633305 0.86 LTA4H (0.59) CES1CES2LTA4HKCNQ3KCNQ2
SCHEMBL5197732 0.86 CES2 (0.59) CES1CES2KMT2ATAS1R3TAS1R1
SCHEMBL4466672 0.85 CES2 (0.42) CES1CES2LTA4HKCNQ3KCNQ2
SCHEMBL4466668 0.85 CES2 (0.42) CES1CES2LTA4HKCNQ3KCNQ2
SCHEMBL4784283 0.84 CES2 (0.47) CES1CES2KMT2ATAS1R3TAS1R1
SCHEMBL3973933 0.82 CES1 (0.59) CES1CES2LTA4HKMT2ATAS1R3
SCHEMBL21575048 0.79 RECQL (0.38) LTA4HKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9953768 0.79 CES1 (0.55) CES1CES2LTA4HKMT2ACA1
SCHEMBL4785414 0.79 CES2 (0.59) CES1CES2CYP11B1CYP11B2CA1
SCHEMBL9446705 0.78 CYP11B1 (0.46) TAS1R3TAS1R1TAS1R2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed