SCHEMBL16097771

SCHEMBL16097771

CCSC(SCC)=C(C#N)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 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
SCHEMBL3696389 0.91 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8IDO1
SCHEMBL5433984 0.91 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8IDO1
SCHEMBL10572441 0.82 ALDH1A1 (0.35) HDAC3HDAC1HDAC2HDAC8IDO1
SCHEMBL10575151 0.79 ALDH1A1 (0.36) IDO1ALDH1A1TSHR
SCHEMBL28887587 0.78 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL29389207 0.78 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL212550 0.78 ALDH1A1 (0.46) IDO1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL10405414 0.74 CTSK (0.36) ALDH1A1
SCHEMBL10463868 0.74 LMNA (0.43) HDAC3HDAC1HDAC2HDAC8IDO1
SCHEMBL20442156 0.72 IDO1 (0.38) IDO1ALDH1A1TSHRL3MBTL1

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-2014147642-A1 SUBSTITUTED FLUORANTHENE-7-CARBONITRILES AS FLUORESCENT DYES FOR CELL IMAGING APPLICATIONS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-09-25 WO disclosed