SCHEMBL13029673

SCHEMBL13029673

CCOc1cc(Cl)c(S(C)(=O)=O)cc1/C(=N/C(C)(C)C1C=CC(Cl)=CC1)NCc1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 3/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MDM2 Q00987 1/20 0.32
HDAC1 Q13547 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
MRGPRX1 Q96LB2 1/20 0.30
PRKD3 O94806 1/20 0.30

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
SCHEMBL13031078 0.92 POLB (0.36) L3MBTL1KDM4EALDH1A1HPGDPOLB
SCHEMBL13029762 0.90 TSHR (0.44) L3MBTL1KDM4EALDH1A1POLBTSHR
SCHEMBL13030327 0.86 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDPOLB
SCHEMBL8231867 0.84 MRGPRX1 (0.30) TSHRMRGPRX1
SCHEMBL13029771 0.83 L3MBTL1 (0.44) L3MBTL1ALDH1A1POLBTSHRMEN1
SCHEMBL13031103 0.82 AKR1B1 (0.39) POLBMEN1KMT2ACRHBPCRHR2
SCHEMBL8231859 0.77 MDM2 (0.41) MEN1KMT2ASMN1; SMN2MDM2HDAC1
SCHEMBL13029765 0.75 TSHR (0.42) L3MBTL1KDM4EALDH1A1POLBTSHR
SCHEMBL13029671 0.72 GAA (0.32) ALDH1A1TSHRKMT2AMDM2HDAC1
SCHEMBL13031080 0.72 MDM2 (0.33) ALDH1A1POLBMEN1KMT2ASMN1; SMN2

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-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed