SCHEMBL5052899

SCHEMBL5052899

O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](C(O)Br)O2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
TK1 P04183 6/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PYGM P11217 1/20 0.44
ALOX12 P18054 1/20 0.44
ADRA1A P35348 1/20 0.44
TK2 O00142 1/20 0.43

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
SCHEMBL9223679 0.90 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL4542151 0.86 TK1 (0.63) TK1
SCHEMBL3066357 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL7105434 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL7105437 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3076874 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3085890 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3080556 0.82 TK1 (0.46) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL3087369 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBKMT2ATK1
SCHEMBL10388601 0.81 TK1 (0.41) SMN1; SMN2ALDH1A1POLBKMT2ATK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080026992-A1 Tyrosine Phosphorylation of Cdk Inhibitor Proteins of the Cip/Kip Family MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-01-31 US disclosed
EP-1687331-A1 TYROSINE PHOSPHORYLATION OF CDK INHIBITOR PROTEINS OF THE CIP/KIP FAMILY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-08-09 EP disclosed
WO-2005040207-A1 TYROSINE PHOSPHORYLATION OF CDK INHIBITOR PROTEINS OF THE CIP/KIP FAMILY F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed