SCHEMBL9601136

SCHEMBL9601136

OC[C@@H]1CC[C@H](n2cnc3c(O)nc(Cl)nc32)O1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALB P02768 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.49
TP53 P04637 2/20 0.49
PNP P00491 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL23585882 0.89 LMNA (0.57) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL10438025 0.88 ALDH1A1 (0.57) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL8124562 0.87 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL172618 0.87 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL30694424 0.87 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL19242566 0.87 LMNA (0.65) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL10379476 0.86 ALDH1A1 (0.56) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL4306006 0.85 LMNA (0.55) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL12154625 0.85 ALDH1A1 (0.58) LMNAALDH1A1ALBMAPK1CYP1A2
SCHEMBL9828081 0.81 ALDH1A1 (0.58) LMNAALDH1A1ALBMAPK1CYP1A2

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
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 EP disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 US disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 EP disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 WO disclosed