SCHEMBL22105974

SCHEMBL22105974

COC(=O)CCNC(=O)c1cnc(NS(=O)(=O)c2ccc(Oc3ccc(CCCCC(C)(C)CC(C)(C)C(=O)OC(C)(C)C)cc3)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ CCR9 P51686 1/20 0.35
▸ CASP6 P55212 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ PLAAT3 P53816 1/20 0.33
▸ PLAAT5 Q96KN8 1/20 0.33
▸ PLAAT2 Q9NWW9 1/20 0.33
▸ PLAAT4 Q9UL19 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL22029350 0.87 TDP1 (0.41) TDP1CCR9CASP6MEN1KMT2A
SCHEMBL22105971 0.87 TDP1 (0.38) TDP1CASP6PLAAT3PLAAT5PLAAT2
SCHEMBL22105945 0.85 ALDH1A1 (0.33) TDP1MEN1KMT2APLAAT3PLAAT5
SCHEMBL24257938 0.83 TDP1 (0.44) TDP1CCR9MEN1KMT2A
SCHEMBL22106155 0.82 GHSR (0.38) TDP1CASP6HDAC1NAMPT
SCHEMBL22029368 0.82 TDP1 (0.45) TDP1CCR9MEN1KMT2APTPN1
SCHEMBL22105963 0.80 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22111934 0.77 ALDH1A1 (0.35) TDP1ALDH1A1CACNA1B
SCHEMBL22106005 0.74 CA2 (0.44) ALDH1A1CA1CA2CA12CA9
SCHEMBL22105998 0.73 NAMPT (0.38) TDP1MEN1KMT2ANAMPT

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
WO-2020120463-A1 INSULIN CONJUGATES SANOFI (FR) 2020-06-18 — — WO disclosed
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