SCHEMBL17188768

SCHEMBL17188768

O=C(NSC1CC1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL17188799 0.76 — —
SCHEMBL25447613 0.74 — —
SCHEMBL20230878 0.74 — —
SCHEMBL27476464 0.70 — —
SCHEMBL3058000 0.70 — —
SCHEMBL11028112 0.70 HDAC8 (0.34) HDAC8HDAC6POLBKMT2AHSD17B10
SCHEMBL246975 0.67 POLB (0.48) HDAC8HDAC6POLBKMT2AHSD17B10
SCHEMBL3077535 0.67 SMN1; SMN2 (0.42) HDAC8HDAC6POLBKMT2AHTT
SCHEMBL4100806 0.65 — —
SCHEMBL14102915 0.65 LDHA (0.36) ALDH1A1

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-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
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