SCHEMBL6326508

SCHEMBL6326508

CN(C)CCN(C)Cc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.75
▸ PRMT5 O14744 1/20 0.54
▸ AR P10275 10/20 0.53
▸ PARP1 P09874 2/20 0.53
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TNNI3 P19429 1/20 0.50
▸ TNNT2 P45379 1/20 0.50
▸ TNNC1 P63316 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ENPP1 P22413 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6332361 0.87 POLB (0.65) POLBPRMT5ARPARP1LMNA
SCHEMBL11412658 0.86 POLB (1.00) POLBPRMT5ARPARP1LMNA
SCHEMBL6323602 0.85 POLB (0.65) POLBPRMT5ARPARP1LMNA
SCHEMBL5163309 0.78 POLB (0.72) POLBPRMT5ARPARP1LMNA
Hydrochloric Acid SCHEMBL6279576 0.77 POLB (0.70) POLBPRMT5ARPARP1LMNA
SCHEMBL7462930 0.74 PRMT5 (0.68) POLBPRMT5ARPARP1LMNA
SCHEMBL30231202 0.74 PRMT5 (0.68) POLBPRMT5ARPARP1LMNA
SCHEMBL21575767 0.71 PRMT5 (0.64) POLBPRMT5ARPARP1LMNA
SCHEMBL13329529 0.71 PRMT5 (0.64) POLBPRMT5ARPARP1LMNA
SCHEMBL23909125 0.71 PRMT5 (0.68) POLBPRMT5ARPARP1LMNA

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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