SCHEMBL21043794

SCHEMBL21043794

CCCN1C(=O)CCc2cc(CNS(=O)(=O)c3ccc(C)s3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.53
▸ CREBBP Q92793 1/20 0.53
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.46
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ ATAD2 Q6PL18 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
SCHEMBL21043845 0.92 BRD4 (0.53) BRD4CREBBPPOLBLMNATP53
SCHEMBL21043774 0.89 POLB (0.63) BRD4CREBBPPOLBLMNATP53
SCHEMBL21043843 0.84 TP53 (0.61) POLBLMNATP53HDAC1HDAC8
SCHEMBL21043855 0.82 MAPT (0.52) POLBLMNATP53MAPTTHRB
SCHEMBL21043777 0.81 LMNA (0.50) BRD4POLBLMNATP53HDAC1
SCHEMBL21043815 0.81 POLB (0.48) POLBLMNATP53HDAC1HDAC8
SCHEMBL21043801 0.81 POLB (0.45) POLBLMNATP53HDAC1HDAC8
SCHEMBL19865932 0.81 HDAC1 (0.46) POLBLMNATP53HDAC1HDAC8
SCHEMBL19857236 0.80 MAPT (0.46) POLBLMNATP53HDAC1HDAC8
SCHEMBL17979391 0.80 HDAC1 (0.45) POLBLMNATP53HDAC1HDAC8

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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