SCHEMBL7380452

SCHEMBL7380452

CCc1ccc(Nc2cc(C(=N)N)sc2SC)cc1.CSc1sc(C(=N)N)cc1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.64
C1S P09871 3/20 0.48
F9 P00740 3/20 0.48
F10 P00742 3/20 0.48
KMT2A Q03164 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CTSV O60911 1/20 0.42
CTSL P07711 1/20 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
SCHEMBL6920484 0.95 PLAU (0.69) PLAUC1SF9F10KMT2A
Hydrochloric Acid SCHEMBL6920775 0.94 PLAU (0.68) PLAUC1SF9F10KMT2A
SCHEMBL7374623 0.94 PLAU (0.57) PLAUC1SF9F10KMT2A
SCHEMBL6926600 0.86 PLAU (0.50) PLAUC1S
Hydrochloric Acid SCHEMBL6925281 0.85 PLAU (0.49) PLAUC1S
SCHEMBL6924736 0.85 PLAU (0.57) PLAUC1SF9F10SIRT2
SCHEMBL6921915 0.84 PLAU (0.53) PLAUKMT2ASIRT2MEN1NPC1
SCHEMBL7996791 0.82 PLAU (0.53) PLAUC1S
SCHEMBL6927242 0.81 PLAU (0.66) PLAUC1S
SCHEMBL6921142 0.79 PLAU (0.63) PLAUC1S

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
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed