SCHEMBL7470927

SCHEMBL7470927

CC(CC#N)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
TRPA1 O75762 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL214819 0.80 HDAC4 (0.41) USP2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1553978 0.79 TAAR1 (0.52) PBRM1KDM4EMEN1USP2ALDH1A1
SCHEMBL2760210 0.79 TAAR1 (0.52) PBRM1KDM4EMEN1USP2ALDH1A1
SCHEMBL3602217 0.78 AOC3 (0.34) TAAR1
SCHEMBL7498722 0.78 TRPA1 (0.41) KDM4EMEN1ALDH1A1KMT2ATAAR1
SCHEMBL3603421 0.78 AOC3 (0.34) TAAR1
SCHEMBL7821122 0.78 TAAR1 (0.33) TAAR1
SCHEMBL3617032 0.78 AOC3 (0.34) TAAR1
SCHEMBL2179249 0.77 RIPK1 (0.36) TAAR1TRPA1
SCHEMBL2005856 0.76 TRPA1 (0.39) KDM4EALDH1A1MAPTHSD17B10TRPA1

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-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 WO disclosed