SCHEMBL9733338

SCHEMBL9733338

COc1ccccc1-n1c(C)nc2sc(S(N)(=O)=O)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
HPD P32754 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9733835 0.86 ALDH1A1 (0.57) CA2HPDL3MBTL1PTGS2JUN
SCHEMBL9733308 0.86 ALDH1A1 (0.45) CA2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9733819 0.85 L3MBTL1 (0.46) CA2HPDL3MBTL1ALDH1A1NPC1
SCHEMBL9733191 0.85 ALDH1A1 (0.44) CA2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9734019 0.84 ALDH1A1 (0.59) HPDL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL9734920 0.82 ALDH1A1 (0.57) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL9734089 0.82 GRM5 (0.50) KMT2AALDH1A1NPC1MAPTRAB9A
SCHEMBL9733959 0.81 ALDH1A1 (0.56) L3MBTL1KMT2AALDH1A1NPC1MAPT
SCHEMBL9733344 0.77 ALDH1A1 (0.44) CA2HPDKMT2AALDH1A1NPC1
SCHEMBL9732944 0.77 ALDH1A1 (0.44) HPDL3MBTL1KMT2AALDH1A1NPC1

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-5124331-A Anticancer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-06-23 US disclosed
EP-0364598-A1 3,4-dihydrothieno ¬2,3-d pyrimidine compounds and pharmaceutical application thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-25 EP disclosed