SCHEMBL5452769

SCHEMBL5452769

C=CCNC(=S)Nc1ccccc1OCC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 4/20 0.58
PKM P14618 1/20 0.58
MEN1 O00255 1/20 0.57
LMNA P02545 2/20 0.54
ALOX12 P18054 2/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL28820782 0.86 KMT2A (0.64) ALDH1A1KMT2AMEN1LMNAALOX12
SCHEMBL10393407 0.83 ALDH1A1 (0.82) MAPK1ALDH1A1KMT2APKMMEN1
SCHEMBL9779689 0.81 KMT2A (0.57) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL20536937 0.79 MAPK1 (0.76) MAPK1ALDH1A1KMT2APKMMEN1
SCHEMBL5463769 0.78 MEN1 (0.64) ALDH1A1KMT2AMEN1LMNAALOX12
SCHEMBL5450433 0.76 KMT2A (0.58) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL23375474 0.75 LMNA (0.68) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL29000353 0.74 KMT2A (0.59) MAPK1ALDH1A1KMT2AMEN1LMNA
SCHEMBL30356248 0.74 ALDH1A1 (0.63) MAPK1ALDH1A1KMT2APKMMEN1
SCHEMBL3602286 0.74 ALDH1A1 (0.63) MAPK1ALDH1A1KMT2APKMMEN1

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