SCHEMBL21824554

SCHEMBL21824554

O=C(Nc1ccc(F)cc1)Nc1ccc(Cc2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
MAPK14 Q16539 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC4 P56524 5/20 0.44
TAAR1 Q96RJ0 1/20 0.43
RAB9A P51151 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 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
SCHEMBL21824513 0.90 HDAC4 (0.51) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL21824529 0.90 GAA (0.57) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL21824522 0.90 HDAC4 (0.54) HDAC6HDAC1HDAC8ALDH1A1HTT
SCHEMBL21824571 0.90 HDAC4 (0.54) HDAC6HDAC1HDAC8ALDH1A1HTT
SCHEMBL21824541 0.89 CNR1 (0.46) HDAC6HDAC1HDAC8MAPK14MEN1
SCHEMBL21824509 0.89 NPC1 (0.46) HDAC6HDAC1HDAC8MAPK14MEN1
SCHEMBL21824525 0.87 L3MBTL1 (0.47) HDAC6HDAC1HDAC8MAPK14MEN1
SCHEMBL21824559 0.86 SAE1 (0.59) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL21824490 0.86 HDAC4 (0.46) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL21824567 0.85 TSHR (0.49) HDAC6HDAC1HDAC8SMN1; SMN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860982-A1 OXADIAZOLES AS FUNGICIDES PI Industries Ltd. (IN) 2021-08-11 EP claimed
CN-113195461-A Novel oxadiazole compound PI工业有限公司 2021-07-30 CN claimed
WO-2020070611-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LTD (IN) 2020-04-09 WO claimed
EP-3860982-A1 OXADIAZOLES AS FUNGICIDES PI Industries Ltd. (IN) 2021-08-11 EP disclosed
CN-113195461-A Novel oxadiazole compound PI工业有限公司 2021-07-30 CN disclosed
WO-2020070611-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LTD (IN) 2020-04-09 WO disclosed