SCHEMBL6744346

SCHEMBL6744346

[N-]=[N+]=Nn1c(=O)ccn([C@@H]2CC[C@H](CO)O2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
LMNA P02545 3/20 0.38
ALB P02768 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.34
TSHR P16473 2/20 0.33
TK1 P04183 2/20 0.33
PKM P14618 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6744345 1.00 ABL1 (0.41) ABL1RIN1LMNAALBALDH1A1
SCHEMBL3813740 0.80 LMNA (0.41) ABL1RIN1LMNAALBALDH1A1
SCHEMBL10521119 0.79 TYMP (0.32) ABL1RIN1
SCHEMBL10481879 0.79 LMNA (0.37) ABL1RIN1LMNAALBALDH1A1
SCHEMBL10481880 0.79 LMNA (0.37) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6757643 0.78 LMNA (0.36) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6757641 0.78 LMNA (0.36) ABL1RIN1LMNAALBALDH1A1
Phosphoric Acid SCHEMBL9086402 0.77 TK1 (0.39) ABL1RIN1LMNAALBALDH1A1
SCHEMBL23797137 0.77 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6632471 0.77 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994026761-A1 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO-NEURON, INC. (US) 1994-11-24 WO claimed
US-20040146893-A1 Nucleotide sequences coding heterologous polypeptide for use in diagnosis and treatment of nervous system, cell proliferative, inflammatory and autoimmune diseases; wound healing agents HUMAN GENOME SCIENCES, INC. (US) 2004-07-29 US disclosed
US-6602664-B2 Treatment of HIV-infected human in alternation or combination with second anti-HIV drug that induces mutation pattern at other than 70th codon of reverse transcriptase region location; drug resistance, pharmokinetics EMORY UNIVERSITY 2003-08-05 US disclosed
WO-1994026761-A1 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO-NEURON, INC. (US) 1994-11-24 WO disclosed
EP-0217580-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-08 EP disclosed