SCHEMBL9855009

SCHEMBL9855009

OCC1OC(c2nc3ncncc3[nH]2)C1CO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37

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
SCHEMBL5163143 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL3727546 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL937118 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL509237 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6440905 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL8791673 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL5182343 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6935273 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6884830 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM
SCHEMBL6884009 0.86 KDM4E (0.54) KDM4EGMNNLMNAMAPTBLM

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
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 EP disclosed