SCHEMBL5772815

SCHEMBL5772815

Cc1ccc(S(=O)(=O)N[C@H](c2cccc(OCc3ccccc3)c2)C(N)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.52
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADAMTS4 O75173 7/20 0.46
MMP13 P45452 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP19A1 P11511 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIR O00625 1/20 0.41

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
SCHEMBL5772810 1.00 AR (0.52) ARKMT2ASMN1; SMN2ADAMTS4MMP13
SCHEMBL5772803 1.00 AR (0.52) ARKMT2ASMN1; SMN2ADAMTS4MMP13
SCHEMBL5774170 0.81 BCL2 (0.47) ARKMT2ASMN1; SMN2ADAMTS4MMP13
SCHEMBL5774177 0.81 BCL2 (0.47) ARKMT2ASMN1; SMN2ADAMTS4MMP13
SCHEMBL292958 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7
SCHEMBL472429 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7
SCHEMBL258422 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7
SCHEMBL130104 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7
SCHEMBL10193067 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7
SCHEMBL29500256 0.78 ALDH1A1 (0.53) KMT2AALDH1A1MAPTCA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676635-A2 Immobilisable ligands derived from ethylenediamine Johnson Matthey PLC (GB) 2006-07-05 EP disclosed
US-20060135355-A1 Nitrogen-containing ligands JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2006-06-22 US disclosed
EP-1545772-A2 NITROGEN-CONTAINING LIGANDS Johnson Matthey PLC (GB) 2005-06-29 EP disclosed
WO-2004014551-A2 IMMOBILISED LIGANDS DERIVED FROM ETHYLENEDIAMINE JOHNSON MATTHEY PLC (GB) 2004-02-19 WO disclosed