SCHEMBL8044767

SCHEMBL8044767

NC(=O)Cc1nnc(Sc2ncc(NC(=O)c3ccccc3)s2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GLS O94925 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SRC P12931 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
KDR P35968 1/20 0.38
MAPT P10636 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL8048704 0.91 NPSR1 (0.45) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8033853 0.88 NPC1 (0.44) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8052179 0.87 RAB9A (0.48) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8051149 0.86 GLS (0.47) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8050097 0.86 NPC1 (0.58) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8044422 0.85 RAB9A (0.46) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8045973 0.85 RAB9A (0.59) NPC1RAB9ASMN1; SMN2GLSMEN1
SCHEMBL8051385 0.85 GLS (0.46) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8044538 0.85 ALDH1A1 (0.53) NPSR1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL8044862 0.84 GLS (0.46) NPSR1NPC1RAB9ATP53SMN1; SMN2

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed