SCHEMBL19994696

SCHEMBL19994696

COc1ccc(CC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.69
KMT2A Q03164 10/20 0.68
MEN1 O00255 8/20 0.68
TP53 P04637 3/20 0.68
HDAC6 Q9UBN7 8/20 0.67
MAPT P10636 6/20 0.66
HSD17B10 Q99714 5/20 0.66
CYP2C19 P33261 2/20 0.66
CYP3A4 P08684 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
KDM4E B2RXH2 6/20 0.65
POLB P06746 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
RXFP1 Q9HBX9 1/20 0.65
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ATM Q13315 1/20 0.60
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56

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
SCHEMBL14935014 0.88 HDAC6 (0.71) HDAC4HDAC6ALDH1A1HDAC1HDAC8
SCHEMBL18840097 0.86 HDAC4 (0.69) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14935021 0.86 HDAC4 (0.72) HDAC4KMT2AMEN1HDAC6HDAC1
SCHEMBL23013746 0.83 MAPT (0.51) HDAC4KMT2AMEN1TP53HDAC6
SCHEMBL21903446 0.82 HDAC4 (0.78) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14645419 0.82 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC8
SCHEMBL15920066 0.81 KMT2A (1.00) KMT2AMEN1TP53MAPTHSD17B10
SCHEMBL10554316 0.81 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14645766 0.81 HDAC4 (0.75) HDAC4HDAC6HDAC1HDAC8
SCHEMBL7296994 0.80 HDAC6 (0.59) HDAC4TP53HDAC6MAPTNPSR1

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
EP-3515908-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-07-31 EP disclosed
WO-2018055135-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-29 WO disclosed