SCHEMBL20650458

SCHEMBL20650458

Fc1ccc(N(I)c2cccc3c2sc2c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 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
SCHEMBL20650248 0.89 EPHX2 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20649908 0.88
SCHEMBL20650457 0.88 SMN1; SMN2 (0.30)
SCHEMBL20650467 0.86
SCHEMBL20650469 0.86 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20650245 0.85 GRIN2B (0.32)
SCHEMBL20650456 0.85 SLC22A12 (0.33) HDAC1HDAC6
SCHEMBL20650455 0.85 MAPT (0.30)
SCHEMBL21020601 0.84 NR1H2 (0.33) NR1H2NR1H3HDAC3HDAC4HDAC1
SCHEMBL20650309 0.83

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-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed