SCHEMBL30739845

SCHEMBL30739845

C=Cc1ccc(NC(=O)c2ccccc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.56
HDAC1 Q13547 3/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ABCB1 P08183 1/20 0.52
SNCA P37840 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 1/20 0.50
ITGB5 P18084 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.46
GRIK1 P39086 1/20 0.46

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
SCHEMBL15789035 0.82 MAPT (0.62) HDAC2HDAC1RAB9ANPC1MEN1
SCHEMBL14537808 0.82 RAB9A (0.61) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL30369924 0.80 HDAC1 (0.77) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL6588596 0.80 HDAC1 (0.77) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL30739717 0.79 HDAC1 (0.54) HDAC2HDAC1RAB9ANPC1MEN1
SCHEMBL14428144 0.79 PKM (0.62) HDAC2RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL29693057 0.78 HDAC1 (0.74) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL14428138 0.78 HDAC2 (0.55) HDAC2HDAC1RAB9ANPC1MEN1
SCHEMBL30739633 0.78 RAB9A (0.59) HDAC2HDAC1RAB9ANPC1MEN1
SCHEMBL30739898 0.78 HDAC1 (0.64) HDAC2HDAC1RAB9ANPC1MEN1

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