SCHEMBL4751827

SCHEMBL4751827

COc1cc(OC[C@@H](O)CN)c(NC(C)=O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
CHEK1 O14757 1/20 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
SCHEMBL4751828 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4751495 0.86 KMT2A (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4751496 0.86 KMT2A (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2795203 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2796701 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4751514 0.76 CCR1 (0.48)
SCHEMBL4751513 0.76 CCR1 (0.48)
SCHEMBL4751929 0.74 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9298896 0.74 SMN1; SMN2 (0.67) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL30668842 0.74 SMN1; SMN2 (0.67) ALDH1A1KDM4EMAPTKMT2AMEN1

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
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2008150231-A1 NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 2008-12-11 WO disclosed