SCHEMBL14503531

SCHEMBL14503531

CCC1OC(N2CC(I)C(=O)NC2=O)CC1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.35
TK2 O00142 1/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADRB1 P08588 1/20 0.33
DNMT1 P26358 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL22010368 0.88 TK1 (0.46) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL23083205 0.88 TK1 (0.46) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL15893331 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL16180381 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL657377 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL24254562 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL15893328 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL16180380 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL15895622 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1
SCHEMBL11780860 0.75 TK1 (0.43) TK1TK2LMNASMN1; SMN2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220730-B2 Cancer specific radiolabeled conjugates regulated by the cell cycle for the treatment and diagnosis of cancer BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2007-05-22 US disclosed