SCHEMBL11116941

SCHEMBL11116941

N=C(NC(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
PPIA P62937 1/20 0.54
EPHX1 P07099 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MITF O75030 1/20 0.53
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GSK3B P49841 1/20 0.50
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
LMNA P02545 1/20 0.47
CFD P00746 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL6033584 0.83 TP53 (0.75) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL5013790 0.82 TP53 (1.00) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL456940 0.81 THRB (0.54) TP53ALDH1A1MITFKMT2AHDAC2
SCHEMBL8000506 0.81 TP53 (0.62) TP53PPIAEPHX1SMN1; SMN2EPHX2
SCHEMBL9781823 0.80 TP53 (0.66) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8005172 0.79 TP53 (0.60) TP53PPIAEPHX1SMN1; SMN2EPHX2
SCHEMBL714625 0.79 EPHX1 (0.77) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL8187605 0.78 TP53 (0.58) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
SCHEMBL25658119 0.77 TP53 (0.61) TP53PPIAEPHX1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11560608 0.77 TP53 (0.41) TP53SMN1; SMN2ALDH1A1KDM4EGSK3B

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-0052819-B1 PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS UBE INDUSTRIES, LTD. (JP) 1984-02-29 EP disclosed
US-4375554-A REACTING AN ALKOXYIMINOACETIC ACID ESTER WITH A PRIMARY AMINE UBE INDUSTRIES LTD. (JP) 1983-03-01 US disclosed
EP-0052819-A1 Process for preparing amidinecarboxylic acids UBE INDUSTRIES, LTD. (JP) 1982-06-02 EP disclosed