SCHEMBL14544500

SCHEMBL14544500

OC[C@@H]1CC[C@H](n2ccc3cncnc32)O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ RIN1 Q13671 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PRMT5 O14744 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP2A6 P11509 1/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.34
▸ ADA P00813 1/20 0.33

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
SCHEMBL9129150 0.82 ABL1 (0.47) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9129147 0.82 ABL1 (0.47) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL14544483 0.81 LMNA (0.46) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL12566880 0.81 CYP1A2 (0.35) ALDH1A1LMNAALBMAPK1PRMT5
SCHEMBL14149657 0.77 ALDH1A1 (0.53) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL8783994 0.77 ALDH1A1 (0.53) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9128530 0.77 ABL1 (0.45) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9128537 0.77 ABL1 (0.45) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL23982434 0.77 ADK (0.51) ALDH1A1LMNAALBMAPK1PRMT5
SCHEMBL20916985 0.77 PRMT5 (0.45) PRMT5WDR77ADA

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-7202224-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2007-04-10 — — US disclosed
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