SCHEMBL30739591

SCHEMBL30739591

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
MAPK1 P28482 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
LTC4S Q16873 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
SCHEMBL30739914 0.87 RAB9A (0.47) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739776 0.87 ALDH1A1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739729 0.86 SMN1; SMN2 (0.53) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739689 0.86 HDAC1 (0.43) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739728 0.86 HDAC1 (0.43) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739909 0.85 HDAC1 (0.56) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL29994477 0.84 SMN1; SMN2 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739871 0.84 HDAC1 (0.41) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739920 0.84 SMN1; SMN2 (0.42) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28316731 0.83 SMN1; SMN2 (0.46) 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 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