SCHEMBL21043813

SCHEMBL21043813

CCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC8 Q9BY41 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ CHRM1 P11229 7/20 0.40
▸ CHRM2 P08172 6/20 0.40
▸ CHRM4 P08173 6/20 0.40
▸ CHRM5 P08912 6/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ CHRM3 P20309 6/20 0.40
▸ DRD4 P21917 6/20 0.40
▸ DRD3 P35462 6/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL21043866 0.92 ATAD2 (0.46) HDAC1HDAC8HDAC6TMEM97ATAD2
SCHEMBL21043807 0.88 CHRM1 (0.40) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043787 0.88 HDAC1 (0.44) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043871 0.88 HDAC6 (0.40) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043816 0.87 CHRM1 (0.43) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043881 0.87 DRD2 (0.40) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043822 0.86 HDAC1 (0.44) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043847 0.85 POLB (0.44) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043778 0.85 HDAC1 (0.39) HDAC1HDAC8HDAC6CHRM1CHRM2
SCHEMBL21043868 0.84 HDAC1 (0.42) HDAC1HDAC8HDAC6CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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