SCHEMBL9545096

SCHEMBL9545096

Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)n(N)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALB P02768 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.34
TK1 P04183 1/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CYP2D6 P10635 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
SCHEMBL17804409 0.88 TK1 (0.32) LMNAALBALDH1A1MAPK1TK1
SCHEMBL10522154 0.87 ALDH1A1 (0.40) LMNAALBALDH1A1MAPK1ABL1
SCHEMBL23258398 0.85 LMNA (0.43) LMNAALBALDH1A1MAPK1ABL1
SCHEMBL5638638 0.84 LMNA (0.42) LMNAALBALDH1A1MAPK1ABL1
SCHEMBL1421772 0.84 LMNA (0.42) LMNAALBALDH1A1MAPK1ABL1
SCHEMBL14154578 0.80 LMNA (0.39) LMNAALBALDH1A1MAPK1ABL1
SCHEMBL17804440 0.79 POLB (0.38) TK1
SCHEMBL5179808 0.78 TK1 (0.49) LMNACYP1A2TSHRTK1BLM
SCHEMBL5179815 0.78 TK1 (0.49) LMNACYP1A2TSHRTK1BLM
SCHEMBL3813740 0.78 LMNA (0.41) LMNAALBALDH1A1MAPK1ABL1

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
WO-1993016388-A1 METHOD OF DETECTING AND MONITORING LEVELS OF 3'-AMINO-3'-DEOXYTHYMIDINE IN BODY FLUIDS AND ANTIBODIES FOR SAME THE UAB RESEARCH FOUNDATION (US) 1993-08-19 WO disclosed