SCHEMBL30739729

SCHEMBL30739729

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 2/20 0.53
AHR P35869 1/20 0.53
POLB P06746 4/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL30739776 0.87 ALDH1A1 (0.49) SMN1; SMN2MAPTPOLBHDAC1HDAC8
SCHEMBL30739591 0.86 HDAC1 (0.48) SMN1; SMN2MAPK1POLBHDAC1HDAC8
SCHEMBL30739882 0.86 KDM4E (0.48) SMN1; SMN2MAPTMAPK1AHRPOLB
SCHEMBL29995013 0.86 HDAC1 (0.43) SMN1; SMN2MAPTMAPK1AHRPOLB
SCHEMBL28876084 0.86 NPC1 (0.48) SMN1; SMN2MAPTMAPK1AHRPOLB
SCHEMBL28316731 0.86 SMN1; SMN2 (0.46) SMN1; SMN2MAPTMAPK1POLBHDAC1
SCHEMBL30739909 0.85 HDAC1 (0.56) POLBHDAC1HDAC8HDAC6RAB9A
SCHEMBL30739890 0.85 HDAC1 (0.49) SMN1; SMN2MAPTMAPK1AHRPOLB
SCHEMBL30739635 0.85 HDAC1 (0.47) SMN1; SMN2MAPTMAPK1POLBHDAC1
SCHEMBL30739914 0.85 RAB9A (0.47) SMN1; SMN2MAPTMAPK1AHRPOLB

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