SCHEMBL21043847

SCHEMBL21043847

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccccc3Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CHRM2 P08172 3/20 0.41
▸ CHRM4 P08173 3/20 0.41
▸ CHRM5 P08912 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ DRD4 P21917 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRA1D P25100 1/20 0.38

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
SCHEMBL21043826 0.92 ATAD2 (0.46) POLBRXFP1TP53HDAC1HDAC8
SCHEMBL21043801 0.89 POLB (0.45) POLBRXFP1TP53HDAC1HDAC8
SCHEMBL21043781 0.88 POLB (0.46) POLBRXFP1TP53HDAC1HDAC8
SCHEMBL21043791 0.86 NPY5R (0.44) POLBRXFP1TP53HDAC1HDAC8
SCHEMBL21043777 0.85 LMNA (0.50) POLBTP53HDAC1HDAC8HDAC6
SCHEMBL21043813 0.85 HDAC1 (0.42) POLBRXFP1TP53HDAC1HDAC8
SCHEMBL21043878 0.84 CYP19A1 (0.48) POLBTP53HDAC1HDAC8HDAC6
SCHEMBL19857236 0.82 MAPT (0.46) POLBTP53HDAC1HDAC8HDAC6
SCHEMBL21043816 0.81 CHRM1 (0.43) POLBHDAC1HDAC8HDAC6LMNA
SCHEMBL19865932 0.81 HDAC1 (0.46) POLBTP53HDAC1HDAC8HDAC6

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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