SCHEMBL7081597

SCHEMBL7081597

N#CNN(NC#N)C(O)=S.OC(=S)N(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL3068207 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL3080689 0.78
Hydrochloric Acid SCHEMBL11246737 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL7081595 0.72 NPSR1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL3076535 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL3767158 0.70 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL9356381 0.70 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL9356288 0.70 ALDH1A1 (0.67) ALDH1A1L3MBTL1KMT2AMEN1GAA
Methane SCHEMBL11116286 0.69 ALDH1A1 (0.64) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL4878105 0.64 NPSR1 (0.50) ALDH1A1L3MBTL1KMT2AMEN1GAA

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
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed