SCHEMBL5453556

SCHEMBL5453556

Cc1ccc(NC(=S)NC(=O)c2occc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 7/20 0.51
RAB9A P51151 2/20 0.51
GRM1 Q13255 1/20 0.50
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
PKM P14618 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
MAPK1 P28482 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
SCHEMBL5449907 0.89 ALDH1A1 (0.52) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5452558 0.89 EPHX1 (0.56) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5452802 0.87 ALDH1A1 (0.52) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5456707 0.85 MEN1 (0.51) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL12225791 0.85 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5447964 0.83 GRM1 (0.51) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL5448199 0.82 ALDH1A1 (0.59) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5446600 0.77 ALDH1A1 (0.78) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5456442 0.76 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1GAAKDM4E
SCHEMBL5445578 0.76 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed