SCHEMBL4606273

SCHEMBL4606273

Cc1c(O)ccc(SC#N)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
USP2 O75604 1/20 0.32
USP8 P40818 1/20 0.32
USP5 P45974 1/20 0.32
USP4 Q13107 1/20 0.32
USP7 Q93009 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
SCHEMBL16707459 0.87 ALDH1A1 (0.43) MAPTALDH1A1LMNAHPGDCA2
SCHEMBL16707435 0.78 ALDH1A1 (0.38) MAPTALDH1A1MEN1LMNAHPGD
SCHEMBL29599714 0.75 ALOX15 (0.50) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL5150171 0.75 ALOX15 (0.50) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL5570280 0.75 GAA (0.39) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL3409348 0.73 LMNA (0.61) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL21495996 0.73 ALDH1A1 (0.40) ARMAPTALDH1A1CA2CA5A
SCHEMBL1507626 0.73 ALOX15 (0.43) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL29457565 0.71 TRPA1 (0.53) ARMAPTALDH1A1ALOX15HSD17B10
SCHEMBL68013 0.71 TRPA1 (0.53) ARMAPTALDH1A1ALOX15HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed