SCHEMBL8554412

SCHEMBL8554412

[CH2]c1cccc(C(=O)Nc2nnc(CCCC)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TP53 P04637 1/20 0.57
KMT2A Q03164 3/20 0.56
GLA P06280 1/20 0.56
GLS O94925 3/20 0.56
POLB P06746 2/20 0.55
DNMT1 P26358 1/20 0.55
SRC P12931 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54

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
SCHEMBL8554413 0.87 LMNA (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7348805 0.80 MEN1 (0.71) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL8559915 0.79 GAA (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL27806628 0.77 GLS (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7348082 0.77 MAPT (0.64) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL11250062 0.75 ALDH1A1 (0.80) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL24440954 0.74 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7382010 0.73 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12010955 0.73 RAB9A (0.77) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27180846 0.73 MEN1 (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1GAA

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