SCHEMBL7127489

SCHEMBL7127489

NC(=O)c1ccc2c(c1)CCC2.NCc1cccc(C(=O)N(CC(=O)O)c2csc(-c3ccccc3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK14 Q16539 2/20 0.36
KLKB1 P03952 4/20 0.34
ENPP2 Q13822 1/20 0.34
PPARA Q07869 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KLK1 P06870 2/20 0.34
TRPC6 Q9Y210 1/20 0.34
CFD P00746 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAD52 P43351 2/20 0.33
HPGD P15428 2/20 0.33

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
Trifluoroacetic Acid SCHEMBL4802588 0.95 MEN1 (0.35) MEN1KMT2AMAPK14KLKB1ENPP2
Hydrochloric Acid SCHEMBL4806911 0.89 MEN1 (0.36) MEN1KMT2AMAPK14ENPP2NPC1
Trifluoroacetic Acid SCHEMBL4809992 0.85 ENPP2 (0.41) MEN1KMT2AMAPK14KLKB1ENPP2
SCHEMBL4812018 0.85 NPC1 (0.35) MEN1KMT2AMAPK14ENPP2NPC1
Trifluoroacetic Acid SCHEMBL4809310 0.85 MEN1 (0.35) MEN1KMT2AMAPK14ENPP2NPC1
SCHEMBL4812613 0.84 MAPK14 (0.36) MEN1KMT2AMAPK14KLKB1ENPP2
SCHEMBL4805867 0.84 MAPT (0.38) MEN1KMT2AMAPK14NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4809932 0.84 MAPK14 (0.35) MEN1KMT2AMAPK14ENPP2NPC1
Hydrochloric Acid SCHEMBL4811330 0.82 MAPK14 (0.40) MEN1KMT2AMAPK14NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4807459 0.82 MAPK14 (0.33) MEN1KMT2AMAPK14ENPP2NPC1

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-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed