SCHEMBL30739573

SCHEMBL30739573

CC(Cl)(Cl)C(=O)Nc1c(F)ccc(NC(=O)c2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPK1 P28482 2/20 0.42
HDAC2 Q92769 1/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KCNMA1 Q12791 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 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
SCHEMBL30739848 0.88 HDAC1 (0.47) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28317659 0.85 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL29995155 0.82 HDAC1 (0.44) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739696 0.82 HDAC1 (0.44) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739966 0.82 NPC1 (0.42) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739971 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739689 0.81 HDAC1 (0.43) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739625 0.81 HDAC1 (0.52) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL30739675 0.80 HDAC1 (0.49) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL28316754 0.80 HDAC1 (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