SCHEMBL6416356

SCHEMBL6416356

C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1cnn2cc(N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
SPR P35270 1/20 0.38
GCKR Q14397 7/20 0.38
GCK P35557 5/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL309128 0.91 PDE2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6411414 0.91 PDE2A (0.46) SPRALDH1A1PDE2A
SCHEMBL310170 0.90 HTT (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL309774 0.90 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL310204 0.88 CCR6 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL309343 0.85 SPR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3770851 0.85 SPR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL309552 0.85 SPR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10042205 0.81 TSHR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10042206 0.79 TSHR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2313413-B1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES CONVERGENCE PHARMACEUTICALS (GB) 2012-05-16 EP disclosed