SCHEMBL6332361

SCHEMBL6332361

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ AR P10275 9/20 0.51
▸ PARP1 P09874 2/20 0.50
▸ PRMT5 O14744 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ ENPP1 P22413 1/20 0.44

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
SCHEMBL6326508 0.87 POLB (0.75) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL6323602 0.81 POLB (0.65) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL11412658 0.79 POLB (1.00) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL5163309 0.74 POLB (0.72) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL7462930 0.74 PRMT5 (0.68) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL30231202 0.74 PRMT5 (0.68) POLBARPARP1PRMT5SMN1; SMN2
Hydrochloric Acid SCHEMBL6279576 0.73 POLB (0.70) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL21575767 0.71 PRMT5 (0.64) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL23909125 0.71 PRMT5 (0.68) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL29404780 0.71 PRMT5 (0.68) POLBARPARP1PRMT5SMN1; SMN2

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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