SCHEMBL7471044

SCHEMBL7471044

O=CC=Cc1nc2cc(Cl)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
SNCA P37840 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
PSMB8 P28062 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL7471035 1.00 KDM4E (0.57) KDM4ESNCALMNAMAPTCYP1A2
SCHEMBL7464328 0.83 KDM4E (0.64) KDM4ELMNAMAPTCYP1A2THRB
Chlorzoxazone SCHEMBL35177 0.78 KDM4E (0.70) KDM4ELMNAMAPTCYP1A2THRB
SCHEMBL8635794 0.78 KDM4E (0.57) KDM4ESNCALMNAMAPTCYP1A2
SCHEMBL8635797 0.78 KDM4E (0.57) KDM4ESNCALMNAMAPTCYP1A2
SCHEMBL7471770 0.78 GAA (0.54) KDM4ESNCASMN1; SMN2CASP3SENP7
SCHEMBL7471766 0.78 GAA (0.54) KDM4ESNCASMN1; SMN2CASP3SENP7
SCHEMBL9338919 0.77 KDM4E (0.50) KDM4ESNCALMNAMAPTCYP1A2
SCHEMBL7472176 0.77 SNCA (0.62) KDM4ESNCALMNAMAPTPSMB8
SCHEMBL12545773 0.77 KDM4E (0.64) KDM4ESNCALMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771796-B1 Substituted S-triazines and process for their preparation AGFA GEVAERT (BE) 2002-06-19 EP disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed