SCHEMBL7370732

SCHEMBL7370732

CCc1cccc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.55
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDO2 P48775 9/20 0.49
IMPDH2 P12268 2/20 0.49
NR4A2 P43354 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDGFRB P09619 2/20 0.48
KIF11 P52732 1/20 0.45
PDGFRA P16234 1/20 0.44
IDO1 P14902 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL2300936 0.81 ASH1L (0.52) ASH1LTDO2IMPDH2NR4A2MAPK1
SCHEMBL24196091 0.81 ASH1L (0.55) ASH1LIDO1
SCHEMBL24025940 0.79 HTR1D (0.51) MEN1NPC1LMNAHPGDRAB9A
SCHEMBL25043136 0.79 ASH1L (0.59) ASH1LMEN1NPC1KMT2ATDO2
SCHEMBL20937890 0.77 CDC7 (0.64) MAPK1
SCHEMBL27613441 0.77 ASH1L (0.60) ASH1LSMN1; SMN2TDO2IMPDH2NR4A2
SCHEMBL23649189 0.76 ASH1L (0.63) ASH1LTDO2IMPDH2NR4A2MAPK1
SCHEMBL29824426 0.76 ASH1L (0.63) ASH1LTDO2IMPDH2NR4A2MAPK1
SCHEMBL6586643 0.76 ASH1L (0.59) ASH1LMEN1LMNAKMT2ATDO2
SCHEMBL30695578 0.76 ASH1L (0.59) ASH1LMEN1LMNAKMT2ATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed