SCHEMBL9416248

SCHEMBL9416248

CC(C)(C)c1ccc(C(=S)SCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
SRD5A2 P31213 1/20 0.47
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
NR1H4 Q96RI1 8/20 0.43
EPHX2 P34913 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL9416229 0.83 CES2 (0.48) SRD5A2MAPTKMT2AHDAC1L3MBTL1
SCHEMBL2705458 0.81 HDAC3 (0.51) RAB9ASRD5A2MAPTKMT2AHDAC1
SCHEMBL9790167 0.79 RAB9A (0.45) RAB9ASRD5A2MAPTKMT2AHDAC1
SCHEMBL162936 0.78 ALDH1A1 (0.52) RAB9AMAPTKMT2AHDAC1SMN1; SMN2
SCHEMBL10428977 0.78 PLK1 (0.44) RAB9AMAPTKMT2AHDAC1SMN1; SMN2
SCHEMBL2108708 0.77 HDAC3 (0.49) RAB9ASRD5A2MAPTKMT2AHDAC1
SCHEMBL9416258 0.77 LMNA (0.46) RAB9AMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4832150 0.77 ALDH1A1 (0.50) RAB9AMAPTKMT2AHDAC1SMN1; SMN2
SCHEMBL9416250 0.77 MAPT (0.67) MAPTKMT2AHDAC1HPGDALDH1A1
SCHEMBL9416273 0.75 KMT2A (0.39) RAB9AMAPTKMT2AHDAC1SMN1; SMN2

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
EP-0601520-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-15 EP disclosed