SCHEMBL5071995

SCHEMBL5071995

OC[C@H]1O[C@@H](c2[nH]nc3c(Cl)ncnc23)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
PYGL P06737 5/20 0.43
PNP P00491 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
STAT6 P42226 1/20 0.43
ADK P55263 1/20 0.40
SLC29A1 Q99808 1/20 0.40

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
Formycin SCHEMBL10149284 0.85 HIF1A (0.55) HIF1APNPSMN1; SMN2STAT6SLC29A1
Formycin SCHEMBL4196088 0.85 HIF1A (0.55) HIF1APNPSMN1; SMN2STAT6SLC29A1
SCHEMBL29941387 0.81 YTHDC1 (0.45) HIF1APYGLPNPADKSLC29A1
SCHEMBL5071998 0.79 HIF1A (0.48) HIF1APYGLKDM4EGMNNLMNA
Deaminoformycin SCHEMBL11670040 0.77 ADA (0.45) HIF1APYGLPNPKDM4EGMNN
SCHEMBL29941437 0.74 PNP (0.41) HIF1APYGLPNP
SCHEMBL30578626 0.73 PNP (0.40) PYGLPNP
SCHEMBL1796867 0.69 HIF1A (0.54) HIF1APYGLKDM4EGMNNLMNA
SCHEMBL9657348 0.69 HIF1A (0.54) HIF1APYGLKDM4EGMNNLMNA
Formycin SCHEMBL15262901 0.69 HIF1A (0.61) HIF1APYGLSMN1; SMN2STAT6SLC29A1

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-7368437-B1 Bicyclic heterocycles, processes for their preparation and their use as herbicides and pharmaceutical agents BAYER CROPSCIENCE AG (DE) 2008-05-06 US disclosed