SCHEMBL7572269

SCHEMBL7572269

CC(SSc1ccccn1)c1ccc(C(=O)NCCCCCCN2C(=O)CC(S(=O)(=O)O)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
DRD3 P35462 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HDAC3 O15379 1/20 0.34
PTAFR P25105 1/20 0.34
NAMPT P43490 1/20 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
SCHEMBL321300 0.86 SMN1; SMN2 (0.35) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL44249 0.81 LMNA (0.36) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL16491630 0.81 HDAC6 (0.35) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL14872074 0.79 NAAA (0.52) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL7950954 0.78 SMN1; SMN2 (0.34) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL900949 0.78 SMN1; SMN2 (0.36) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL14868085 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL15493502 0.78 SMN1; SMN2 (0.37) HTR1ADRD2HTR2AHTR2CDRD3
SCHEMBL7950952 0.77 TP53 (0.34) HTR1AHTR2ADRD3NPC1RAB9A
SCHEMBL17161322 0.77 RGS12 (0.31)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002061045-A2 SIMPLIFIED METHOD FOR INDEXING AND DETERMINING THE RELATIVE CONCENTRATION OF EXPRESSED MESSENGER RNAS DIGITAL GENE TECHNOLOGIES, INC. (US) 2002-08-08 WO claimed
US-20020012922-A1 Simplified method for indexing and determining the relative concentration of expressed messenger RNAs NEUROME, INC. 2002-01-31 US claimed
WO-2001083696-A2 METHODS FOR RAPID ISOLATION AND SEQUENCE DETERMINATION OF GENE-SPECIFIC SEQUENCES DIGITAL GENE TECH INC (US) 2001-11-08 WO claimed
WO-2002061045-A2 SIMPLIFIED METHOD FOR INDEXING AND DETERMINING THE RELATIVE CONCENTRATION OF EXPRESSED MESSENGER RNAS DIGITAL GENE TECHNOLOGIES, INC. (US) 2002-08-08 WO disclosed
US-20020012922-A1 Simplified method for indexing and determining the relative concentration of expressed messenger RNAs NEUROME, INC. 2002-01-31 US disclosed
WO-2001083696-A2 METHODS FOR RAPID ISOLATION AND SEQUENCE DETERMINATION OF GENE-SPECIFIC SEQUENCES DIGITAL GENE TECH INC (US) 2001-11-08 WO disclosed