SCHEMBL21043791

SCHEMBL21043791

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3cccc4ccccc34)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 4/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TBXA2R P21731 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SLC6A9 P48067 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL21043801 0.87 POLB (0.45) POLBRXFP1TP53LMNATMEM97
SCHEMBL21043847 0.86 POLB (0.44) POLBRXFP1TP53LMNATMEM97
SCHEMBL21043781 0.86 POLB (0.46) POLBRXFP1TP53BRD4LMNA
SCHEMBL21043777 0.84 LMNA (0.50) POLBTP53BRD4LMNATMEM97
SCHEMBL21043806 0.83 CYP19A1 (0.52) NPY5RHSP90AA1POLBTBXA2RTP53
SCHEMBL21043824 0.81 MAPT (0.43) POLBRXFP1TP53LMNATMEM97
SCHEMBL19857236 0.80 MAPT (0.46) POLBTP53LMNAHDAC1HDAC8
SCHEMBL21043816 0.80 CHRM1 (0.43) POLBLMNATMEM97SLC6A9HDAC1
SCHEMBL21043815 0.80 POLB (0.48) POLBRXFP1TP53LMNATMEM97
SCHEMBL21043796 0.80 POLB (0.45) POLBRXFP1BRD4LMNAHDAC1

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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