SCHEMBL5448201

SCHEMBL5448201

CC(C)=CC(=O)NC(=S)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.67
GAA P10253 3/20 0.57
RAB9A P51151 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 4/20 0.52
CYP3A4 P08684 1/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 3/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL396577 0.82 SMN1; SMN2 (0.67) EPHX1GAARAB9AKMT2APOLB
SCHEMBL7679084 0.82 SMN1; SMN2 (0.67) EPHX1GAARAB9AKMT2APOLB
N-(Phenylcarbamothioyl)Acetamide SCHEMBL5458065 0.80 EPHX1 (1.00) EPHX1GAARAB9AKMT2APOLB
SCHEMBL10937444 0.78 KMT2A (0.62) EPHX1GAARAB9AL3MBTL1KMT2A
SCHEMBL10937450 0.78 KMT2A (0.62) EPHX1GAARAB9AL3MBTL1KMT2A
SCHEMBL23728134 0.76 EPHX1 (0.71) EPHX1GAARAB9AKMT2AALDH1A1
Acetic Acid SCHEMBL9470144 0.76 GAA (0.78) EPHX1GAARAB9AL3MBTL1KMT2A
SCHEMBL19501840 0.76 NPC1 (0.65) EPHX1GAARAB9AKMT2AMEN1
SCHEMBL4971301 0.75 KMT2A (0.81) GAARAB9AL3MBTL1KMT2APOLB
SCHEMBL4971304 0.75 KMT2A (0.81) GAARAB9AL3MBTL1KMT2APOLB

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