SCHEMBL7240679

SCHEMBL7240679

Cc1sc(C(O)=S)cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.57
PLAU P00749 2/20 0.53
EIF4E P06730 3/20 0.48
MAPT P10636 6/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6925297 0.88 C1S (0.54) C1SPLAUEIF4EMAPTRAB9A
SCHEMBL6919970 0.85 C1S (0.60) C1SPLAUEIF4EMAPTRAB9A
SCHEMBL6924874 0.84 C1S (0.60) C1SPLAUEIF4EMAPTMEN1
SCHEMBL6925339 0.81 PLAU (0.56) C1SPLAUMAPTRAB9AMEN1
SCHEMBL6921101 0.77 C1S (0.60) C1SPLAUMAPTMEN1KMT2A
SCHEMBL6927972 0.76 C1S (0.78) C1SPLAUEIF4EMAPTRAB9A
SCHEMBL6927280 0.75 C1S (0.58) C1SPLAUEIF4EMAPTRAB9A
SCHEMBL28521847 0.74 MAPT (0.65) EIF4EMAPTRAB9AMEN1KMT2A
SCHEMBL6920039 0.74 C1S (0.57) C1SPLAUEIF4EMAPTMEN1
SCHEMBL27574705 0.73 C1S (0.73) C1SPLAUEIF4EMAPTRAB9A

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
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed