SCHEMBL2314535

SCHEMBL2314535

C=C(CCNC(=O)N(C)c1cccc(SC)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
POLB P06746 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
SCN1A P35498 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL2314792 0.83 DRD2 (0.44) KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL17350544 0.83 EGFR (0.43) KMT2AMAPTTP53SIGMAR1ALDH1A1
SCHEMBL2314191 0.83 MTNR1A (0.46) KMT2AMAPTSIGMAR1ALDH1A1
SCHEMBL16835726 0.76 DRD2 (0.47) KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL2318240 0.75 GAA (0.42) SMN1; SMN2ALDH1A1
SCHEMBL2316623 0.75 CNR1 (0.38) KMT2APOLBMAPTMEN1SMN1; SMN2
SCHEMBL2314607 0.75 MEN1 (0.36) KMT2AMAPTMEN1SIGMAR1ALDH1A1
SCHEMBL5344206 0.73 GRIN2D (0.49) KMT2APOLBMAPTMEN1TP53
SCHEMBL17351183 0.70 GRIN2D (0.42) KMT2APOLBMAPTMEN1TP53
SCHEMBL2318009 0.70 KDM4E (0.35) KMT2APOLBMAPTMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP claimed
EP-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP disclosed
EP-2354845-A1 (Meth)acrylate writing monomers Bayer MaterialScience AG (DE) 2011-08-10 EP disclosed