SCHEMBL5458207

SCHEMBL5458207

OCCN(CCO)C(=S)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
GAA P10253 2/20 0.65
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 5/20 0.50
TAS2R38 P59533 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EGFR P00533 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.47
ERBB2 P04626 2/20 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
SCHEMBL17596668 0.83 MAPT (0.55) LMNAGAACYP1A2ALDH1A1TAS2R38
SCHEMBL5464300 0.82 ALDH1A1 (0.66) LMNACYP1A2ALDH1A1MAPK1EGFR
SCHEMBL5444750 0.80 MAPK1 (0.67) LMNACYP1A2ALDH1A1TAS2R38MAPK1
SCHEMBL5449574 0.79 EGFR (0.68) LMNACYP1A2ALDH1A1MAPK1CYP3A4
SCHEMBL6294952 0.78 NPSR1 (0.62) CYP1A2ALDH1A1HSD17B10MEN1NPC1
SCHEMBL5463525 0.78 LMNA (0.81) LMNAGAACYP1A2ALDH1A1MAPK1
SCHEMBL17956765 0.77 EGFR (0.61) LMNACYP1A2ALDH1A1MAPK1EGFR
SCHEMBL5457374 0.76 CYP1A2 (1.00) LMNAGAACYP1A2ALDH1A1TAS2R38
SCHEMBL5455171 0.76 MEN1 (0.71) LMNACYP1A2ALDH1A1TAS2R38HSD17B10
SCHEMBL1276484 0.73 ALDH1A1 (0.64) LMNAGAACYP1A2ALDH1A1TAS2R38

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