SCHEMBL8517853

SCHEMBL8517853

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
PDE3A Q14432 3/20 0.40
CACNA1F O60840 2/20 0.40
ALB P02768 2/20 0.40
MAPT P10636 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
THRB P10828 1/20 0.39
MTOR P42345 1/20 0.39
MDM2 Q00987 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 2/20 0.39
PDE4D Q08499 1/20 0.37
SLC29A1 Q99808 1/20 0.37
POLG P54098 2/20 0.35
ADRB1 P08588 1/20 0.34
DNMT1 P26358 1/20 0.34
P2RY2 P41231 3/20 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
SCHEMBL5488005 0.88 POLB (0.39) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL2365610 0.88 POLG (0.38) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL16987259 0.87 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL3292628 0.87 DNMT1 (0.50) LMNAPDE3AMTORPOLBPDE4D
SCHEMBL15301518 0.82 TYMP (0.35) POLB
SCHEMBL16131335 0.82 TYMP (0.35) POLB
SCHEMBL20710377 0.82 KDM4E (0.38) POLBADRB1DNMT1KDM4E
SCHEMBL15216125 0.81 KDM4E (0.36) POLBKDM4E
SCHEMBL5480814 0.80 POLG (0.32) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL3278946 0.80 KDM4E (0.48) PDE3APOLBP2RY2P2RY4P2RY6

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-5912340-A FORMING STABLE HYBRID WITH DNA, RNA EPOCH PHARMACEUTICALS, INC. (US) 1999-06-15 US disclosed