SCHEMBL29561647

SCHEMBL29561647

O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.57
▸ SLC22A12 Q96S37 1/20 0.55
▸ CYP19A1 P11511 1/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.51
▸ AVPR2 P30518 1/20 0.51
▸ GPR27 Q9NS67 1/20 0.51
▸ BRAF P15056 2/20 0.49
▸ GPR119 Q8TDV5 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ F2 P00734 1/20 0.47

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
SCHEMBL29561778 0.89 PGR (0.60) PGRFFAR4HDAC3HDAC4HDAC1
SCHEMBL29561435 0.84 PGR (0.64) PGRCYP19A1CYP3A4
SCHEMBL14458175 0.82 ALOX15 (0.64) PGRSLC22A12CYP19A1FFAR4AVPR2
SCHEMBL29561446 0.82 AVPR2 (0.55) PGRSLC22A12AVPR2GPR27CYP3A4
SCHEMBL29562109 0.81 CDK1 (0.67) PGRCYP19A1FFAR4AVPR2GPR27
SCHEMBL29561272 0.80 PGR (0.67) PGRCYP19A1GPR27ALOX15CYP3A4
SCHEMBL29561440 0.79 ALDH1A1 (0.60) PGRCYP19A1CA1CA2CYP3A4
SCHEMBL7570765 0.79 CES1 (0.67) PGRFFAR4HDAC3HDAC4HDAC1
SCHEMBL29562342 0.78 PGR (0.72) PGRCYP19A1AVPR2GPR27CA1
SCHEMBL29561923 0.77 CA1 (0.63) PGRFFAR4CA1CA2CYP3A4

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
CN-109384694-B SIRT6 small-molecule agonist and application thereof 上海爱乐维生物科技有限公司 2022-04-05 — — CN disclosed
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