SCHEMBL4418696

SCHEMBL4418696

CN[C@]1(n2cc(I)c(N)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 4/20 0.32
ADRB1 P08588 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TK1 P04183 1/20 0.30

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
SCHEMBL4419221 0.87 ALB (0.40) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL4413022 0.87 DNMT1 (0.32) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL4563333 0.85 DNMT1 (0.30) DNMT1ADRB1
SCHEMBL5976411 0.81 PDE4D (0.35) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL28976992 0.72 PDE4D (0.37) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL6351546 0.71 ALB (0.42) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL9446590 0.70 PDE4D (0.35) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL7128276 0.68 DNMT1 (0.32) DNMT1ADRB1
SCHEMBL3449198 0.68 PDE3A (0.46) DNMT1ADRB1SMN1; SMN2LMNAPOLB
SCHEMBL28114849 0.67 DNMT1 (0.32) DNMT1ADRB1

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-8252768-B2 Designer therapy of pancreatic tumors UNIVERSITY OF MIAMI (US) 2012-08-28 US disclosed
US-20090325897-A1 DESIGNER THERAPY OF PANCREATIC TUMORS UNIVERSITY OF MIAMI (US) 2009-12-31 US disclosed
WO-2008085611-A2 DESIGNER THERAPHY OF PANCREATIC TUMORS UNIVERSITY OF MIAMI (US) 2008-07-17 WO disclosed