SCHEMBL29995013

SCHEMBL29995013

CCSCC(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
AHR P35869 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL29994477 0.88 SMN1; SMN2 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739729 0.86 SMN1; SMN2 (0.53) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739776 0.82 ALDH1A1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739591 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739882 0.81 KDM4E (0.48) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739625 0.81 HDAC1 (0.52) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28316731 0.81 SMN1; SMN2 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28876084 0.81 NPC1 (0.48) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739909 0.80 HDAC1 (0.56) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739890 0.80 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1

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
CN-111698906-B Molecules having pesticidal utility, compositions and pest control methods related thereto 美国陶氏益农公司 2022-10-18 CN disclosed