SCHEMBL13638239

SCHEMBL13638239

CC1=CC=C(c2cccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
KDM4E B2RXH2 8/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL9927343 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL7178243 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL28820670 0.71 KDM4E (0.39) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16140273 0.71 DPP4 (0.45) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL17147185 0.69 NPC1 (0.37) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL19720836 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL21393435 0.68 LTK (0.35) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL7172853 0.67 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL3545 0.67 L3MBTL1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1MEN1
SCHEMBL16291133 0.67 L3MBTL1 (0.57) ALDH1A1KDM4EMAPTL3MBTL1MEN1

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
US-7619030-B2 Automobile part of polypropylene resin composition MITSUI CHEMICALS, INC. (JP) 2009-11-17 US disclosed
US-7449533-B2 Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2008-11-11 US disclosed