SCHEMBL19670361

SCHEMBL19670361

CCN1CCCN(C(=O)Nc2cccc(-n3cc(CNC(=O)CCCCCN)nn3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.40
▸ HDAC1 Q13547 9/20 0.40
▸ HDAC6 Q9UBN7 9/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ HDAC10 Q969S8 6/20 0.40
▸ HDAC8 Q9BY41 6/20 0.40
▸ NCOR2 Q9Y618 1/20 0.37
▸ AURKA O14965 4/20 0.36
▸ GPR142 Q7Z601 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ AURKB Q96GD4 3/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ DDT P30046 1/20 0.35

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
SCHEMBL19670572 0.88 LMNA (0.35) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL19706003 0.83 HDAC3 (0.40) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL16249981 0.82 HDAC3 (0.40) HDAC3HDAC1HDAC6HDAC2HDAC10
Hydrochloric Acid SCHEMBL16754672 0.82 HDAC3 (0.40) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL19670249 0.77 CA2 (0.42) HDAC1
SCHEMBL19865051 0.77 HDAC3 (0.37) HDAC3HDAC1HDAC6HDAC2HDAC10
SCHEMBL19365749 0.76 CA2 (0.42) —
SCHEMBL19865035 0.75 CA2 (0.37) —
SCHEMBL17624670 0.75 CA2 (0.39) HDAC1
SCHEMBL16785533 0.74 CA2 (0.37) HDAC3HDAC1HDAC6HDAC2HDAC10

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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