SCHEMBL28204592

SCHEMBL28204592

O=C(NCCS(=O)(=O)NCc1cccs1)NCc1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 4/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.49
NR1I3 Q14994 1/20 0.46
GRK2 P25098 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL14142610 0.82 LMNA (0.80) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL6122659 0.80 LMNA (0.53) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL6077138 0.78 LMNA (0.65) LMNAKMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL23012775 0.77 LMNA (0.63) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL27322979 0.77 LMNA (0.68) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL17009338 0.76 KMT2A (0.54) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL9667164 0.76 LMNA (0.71) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL20211061 0.74 HPGD (0.56) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL6076622 0.74 LMNA (0.70) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL6078444 0.74 LMNA (0.60) LMNAKMT2AMEN1ALDH1A1HPGD

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
CN-107820429-A Include the new compositions and method for immunization therapy of small molecule integrin receptors ligand activator adjuvant 7山利益有限责任公司 2018-03-20 CN disclosed