SCHEMBL14902896

SCHEMBL14902896

O=C(CC(=O)C(F)(F)F)c1cc2ccc3ccsc3c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC3 O15379 5/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
PLOD2 O00469 3/20 0.38
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
CXCR2 P25025 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL14902945 0.83 HDAC6 (0.40) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902861 0.78 CTNNB1 (0.39) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902899 0.75 PLOD2 (0.35) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902902 0.75 GPR35 (0.49) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL1639689 0.71 HDAC3 (0.55) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902895 0.70 GAA (0.38) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902940 0.70 DYRK1A (0.50) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL14902862 0.69 GPR35 (0.42)
SCHEMBL195358 0.68 ERCC5 (0.59) HDAC1PLOD2PLOD3PLOD1CTNNB1
SCHEMBL14902893 0.68 HDAC6 (0.39) HDAC4HDAC1HDAC6HDAC3NPC1

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-2013060702-A1 PHOTOLUMINESCENT COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-05-02 WO disclosed