SCHEMBL11069368

SCHEMBL11069368

O=[N+]([O-])c1nccn1[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
DNMT1 P26358 1/20 0.49
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
SLC29A1 Q99808 1/20 0.46
CYP1A2 P05177 1/20 0.44
HBB P68871 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TK1 P04183 1/20 0.44
HIF1A Q16665 1/20 0.43
PNP P00491 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL11079006 1.00 ADRB1 (0.49) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL13908934 1.00 ADRB1 (0.49) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL11069365 1.00 ADRB1 (0.49) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5911880 0.89 PIM1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5911886 0.89 PIM1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5912553 0.89 ADRB1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5911959 0.89 ADRB1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5912562 0.89 ADRB1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5911950 0.89 ADRB1 (0.38) ADRB1DNMT1PIM1CSNK2A2CSNK2B
SCHEMBL5911916 0.86 SLC29A1 (0.36) ADRB1DNMT1PIM1CSNK2A2CSNK2B

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-4462992-A ANTITUMOR AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION (US) 1984-07-31 US disclosed