SCHEMBL21043824

SCHEMBL21043824

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3c(F)cccc3F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 6/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37

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
SCHEMBL21043781 0.89 POLB (0.46) MAPTPOLBLMNAHDAC1HDAC8
SCHEMBL21043850 0.87 HDAC1 (0.40) POLBLMNAHDAC1HDAC8HDAC6
SCHEMBL21043867 0.84 POLB (0.59) MAPTPOLBLMNATP53
SCHEMBL21043778 0.84 HDAC1 (0.39) POLBLMNAHDAC1HDAC8HDAC6
SCHEMBL21043777 0.84 LMNA (0.50) MAPTPOLBLMNAHDAC1HDAC8
SCHEMBL21043796 0.84 POLB (0.45) MAPTPOLBLMNAHDAC1HDAC8
SCHEMBL21043807 0.84 CHRM1 (0.40) POLBLMNAHDAC1HDAC8HDAC6
SCHEMBL21043834 0.82 CES2 (0.45) POLBLMNAHDAC1HDAC8HDAC6
SCHEMBL21043801 0.82 POLB (0.45) MAPTPOLBLMNAHDAC1HDAC8
SCHEMBL19865932 0.82 HDAC1 (0.46) MAPTPOLBLMNAHDAC1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020127319-A1 PLANT GROWTH REGULATOR COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO claimed
WO-2020127319-A1 PLANT GROWTH REGULATOR COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO disclosed
EP-3256447-B1 2-OXO-3,4-DIHYDROQUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-05 — — EP disclosed
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