SCHEMBL8554413

SCHEMBL8554413

CCCCc1nnc(NC(=O)c2cccc(C)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
GAA P10253 2/20 0.65
ALDH1A1 P00352 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
KDM4E B2RXH2 2/20 0.63
GLS O94925 2/20 0.61
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.57
POLB P06746 1/20 0.56
DNMT1 P26358 1/20 0.56
SRC P12931 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL8554412 0.87 NPC1 (0.64) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8556554 0.80 KMT2A (0.75) LMNANPC1RAB9ASMN1; SMN2GAA
SCHEMBL8559915 0.80 GAA (0.56) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27806628 0.78 GLS (0.56) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27877036 0.78 LMNA (0.62) LMNANPC1RAB9ASMN1; SMN2GAA
SCHEMBL8556694 0.76 KMT2A (0.69) LMNANPC1RAB9ASMN1; SMN2GAA
SCHEMBL27180846 0.76 MEN1 (0.53) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15043830 0.76 GLS (1.00) GLS
SCHEMBL11250062 0.76 ALDH1A1 (0.80) LMNANPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL24440954 0.75 ALDH1A1 (0.56) LMNANPC1RAB9ASMN1; SMN2L3MBTL1

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-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed