SCHEMBL29995155

SCHEMBL29995155

CSC(F)(F)C(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 2/20 0.40
MAPK1 P28482 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPGD P15428 1/20 0.40
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
PTGS1 P23219 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL30739848 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28317659 0.86 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739696 0.83 HDAC1 (0.44) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739971 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739573 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739625 0.82 HDAC1 (0.52) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28316754 0.81 HDAC1 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739675 0.78 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739828 0.78 MEN1 (0.61) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739689 0.77 HDAC1 (0.43) 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