SCHEMBL21393435

SCHEMBL21393435

O=C1C=CC=C(c2cccs2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.35
CDK5 Q00535 1/20 0.35
MST1R Q04912 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TYMP P19971 1/20 0.33
GALR1 P47211 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
DPP4 P27487 1/20 0.32
KDR P35968 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
SCHEMBL28820670 0.71 KDM4E (0.39) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL13638239 0.68 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL9927343 0.68 KDM4E (0.43) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL4639172 0.67 L3MBTL1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL21386792 0.67 LTA4H (0.36) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL678890 0.66 NR1I2 (0.39) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL28335842 0.64 POLB (0.35) CLK4ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL7178243 0.64 ALDH1A1 (0.38) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL9483157 0.64 ALDH1A1 (0.39) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL16140273 0.63 DPP4 (0.45) ALDH1A1MAPTL3MBTL1KDM4EMEN1

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-2019182155-A1 CURABLE COMPOSITION, CURED PRODUCT, METHOD FOR PRODUCING CURED PRODUCT, AND METHOD FOR REPAIRING DAMAGE OF CURED PRODUCT 三菱ケミカル株式会社 2019-09-26 WO disclosed