SCHEMBL30739971

SCHEMBL30739971

O=C(Nc1ccc(F)c(NC(=O)C(F)(F)c2ccccc2)c1F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
PTGS1 P23219 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KCNK3 O14649 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC2 Q92769 1/20 0.42
P2RX1 P51575 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28317659 0.88 HDAC1 (0.49) HDAC1PTGS1HDAC8HDAC6NPC1
SCHEMBL30739848 0.86 HDAC1 (0.47) HDAC1PTGS1HDAC8HDAC6NPC1
SCHEMBL28316754 0.83 HDAC1 (0.46) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL29995155 0.82 HDAC1 (0.44) HDAC1PTGS1HDAC8HDAC6NPC1
SCHEMBL30739696 0.82 HDAC1 (0.44) HDAC1PTGS1HDAC8HDAC6NPC1
SCHEMBL30739573 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL30740006 0.80 HDAC1 (0.49) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL30739828 0.80 MEN1 (0.61) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL30739625 0.78 HDAC1 (0.52) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL30739675 0.77 HDAC1 (0.49) HDAC1HDAC8HDAC6NPC1RAB9A

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed