SCHEMBL6324088

SCHEMBL6324088

O=C(CI)NN1C(=O)CSC1=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
ALDH1A1 P00352 5/20 0.67
RECQL P46063 4/20 0.67
POLB P06746 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALPL P05186 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
PLCG1 P19174 1/20 0.67
CASP6 P55212 1/20 0.67
GAA P10253 9/20 0.57
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
THRB P10828 2/20 0.49
GSK3A P49840 5/20 0.44
GSK3B P49841 5/20 0.44
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.35

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
N-Acetylaminorhodanine SCHEMBL8000045 0.77 MAPT (0.73) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL8224178 0.77 MAPT (0.58) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL2098652 0.76 MAPT (0.56) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL43968 0.74 MAPT (0.68) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL10278696 0.73 MAPT (0.67) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL10278642 0.73 MAPT (0.77) MAPTALDH1A1RECQLPOLBTDP1
N-Benzoylaminorhodanine SCHEMBL8595198 0.70 MAPT (0.74) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL39550 0.69 MAPT (0.55) MAPTALDH1A1RECQLPOLBTDP1
SCHEMBL11985604 0.69
SCHEMBL8356860 0.68 MAPT (1.00) MAPTALDH1A1RECQLPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118664-A1 Fluorogenic protease substrates BLACKMAN MICHAEL J (GB) 2005-06-02 US disclosed
EP-1472284-A2 FLUOROGENIC PROTEASE SUBSTRATES DOUBLY LABELLED WITH RHODAMINE MOIETIES Medical Research Council (GB) 2004-11-03 EP disclosed
WO-2003057723-A2 FLUOROGENIC PROTEASE SUBSTRATES DOUBLY LABELLED WITH RHODAMINE MOIETIES MEDICAL RESEARCH COUNCIL (GB) 2003-07-17 WO disclosed