SCHEMBL18535222

SCHEMBL18535222

OCC1CCC(n2cc(F)c3c(-c4ccco4)ncnc32)O1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 7/20 0.64
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL10160802 1.00 ADK (0.64) ADKALDH1A1LMNAALBMAPK1
SCHEMBL10160860 0.81 ADK (0.65) ADKALDH1A1LMNAALBMAPK1
SCHEMBL23584606 0.79 ADK (0.42) ADKALDH1A1LMNAALBMAPK1
SCHEMBL10161661 0.78 ADK (1.00) ADK
SCHEMBL314676 0.78 ADK (1.00) ADK
SCHEMBL21370966 0.77 ADK (0.65) ADKALDH1A1LMNAALBMAPK1
SCHEMBL25948511 0.77 ALDH1A1 (0.39) ADKALDH1A1LMNAALBMAPK1
SCHEMBL25076431 0.77 ALDH1A1 (0.39) ADKALDH1A1LMNAALBMAPK1
SCHEMBL23809695 0.75 ADK (0.46) ADK
SCHEMBL21371090 0.74 ADK (0.67) ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133080-B1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2018-08-01 — — EP disclosed
EP-3133080-A1 NOVEL CYTOSTATIC 7-DEAZAPURINE NUCLEOSIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2017-02-22 — — EP disclosed
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