SCHEMBL5052901

SCHEMBL5052901

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.46
TK1 P04183 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX12 P18054 1/20 0.36
ADRA1A P35348 1/20 0.36
TK2 O00142 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6830454 0.87 TK1 (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL4542149 0.87 TK1 (0.43) TK1LMNATSHRBLMPMP22
SCHEMBL20526458 0.85 PYGM (0.46) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL28040328 0.83 PYGM (0.45) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL28749266 0.82 PYGM (0.44) PYGMTK1SMN1; SMN2LMNACYP1A2
SCHEMBL27703606 0.79 SLC28A1 (0.44)
SCHEMBL65485 0.79 SLC28A1 (0.44)
SCHEMBL5614068 0.74 PYGM (0.50) PYGMTK1SMN1; SMN2LMNAALOX12
SCHEMBL9393373 0.73 SLC28A1 (0.39)
SCHEMBL29364921 0.72 TK1 (0.45) TK1LMNATSHRBLMPMP22

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