SCHEMBL30739909

SCHEMBL30739909

O=C(Cc1ccccc1)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 2/20 0.56
HDAC2 Q92769 2/20 0.56
NCOR2 Q9Y618 1/20 0.56
KMT2A Q03164 7/20 0.52
POLB P06746 5/20 0.52
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30739591 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC2NCOR2KMT2A
SCHEMBL30739729 0.85 SMN1; SMN2 (0.53) HDAC1HDAC3HDAC2KMT2APOLB
SCHEMBL28316731 0.82 SMN1; SMN2 (0.46) HDAC1HDAC3HDAC2KMT2APOLB
SCHEMBL28876084 0.82 NPC1 (0.48) HDAC1KMT2APOLBMEN1ALDH1A1
SCHEMBL30739776 0.81 ALDH1A1 (0.49) HDAC1KMT2APOLBMEN1ALDH1A1
SCHEMBL30739914 0.81 RAB9A (0.47) HDAC1HDAC3HDAC2NCOR2KMT2A
SCHEMBL30739635 0.81 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2KMT2A
SCHEMBL30739828 0.81 MEN1 (0.61) HDAC1HDAC2KMT2APOLBMEN1
SCHEMBL29995013 0.80 HDAC1 (0.43) HDAC1HDAC3HDAC2KMT2APOLB
SCHEMBL30739625 0.79 HDAC1 (0.52) HDAC1HDAC3HDAC2KMT2APOLB

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