SCHEMBL21043839

SCHEMBL21043839

CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3cc(F)ccc3F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.45
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PARK7 Q99497 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ SGK1 O00141 1/20 0.34

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
SCHEMBL21043882 0.92 CHRM1 (0.41) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043852 0.92 ATAD2 (0.45) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043810 0.89 ATAD2 (0.46) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043821 0.88 ATAD2 (0.43) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043798 0.88 ATAD2 (0.43) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043874 0.85 ATAD2 (0.44) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043858 0.85 BRD4 (0.48) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043846 0.84 HDAC1 (0.43) ATAD2POLBLMNACYP1A2CYP11B1
SCHEMBL21043863 0.84 CHRM1 (0.41) ATAD2POLBLMNAHDAC6HDAC1
SCHEMBL21043837 0.84 ATAD2 (0.46) ATAD2POLBLMNACYP1A2CYP11B1

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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