SCHEMBL5746271

SCHEMBL5746271

COc1ccc(CC2Sc3ccccc3N(CC3(NO)OO3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CACNA1S Q13698 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL5746099 0.87 GSK3B (0.46) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL5746821 0.81 LMNA (0.53) SMN1; SMN2LMNAHTTHDAC3HDAC4
SCHEMBL5796548 0.79 MCL1 (0.53) GSK3BTP53THRBSMN1; SMN2LMNA
Hydroxyamine SCHEMBL5793019 0.78 MCL1 (0.51) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL4972058 0.78 GSK3B (0.49) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL5793022 0.77 PPARG (0.48) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL5797144 0.75 GSK3B (0.47) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL9493439 0.72 GSK3B (0.55) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL9035893 0.71 GSK3B (0.59) GSK3BTP53THRBSMN1; SMN2LMNA
SCHEMBL5746610 0.70 ANPEP (0.41) GSK3BTP53MEN1KMT2AHDAC3

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-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed