SCHEMBL6323602

SCHEMBL6323602

CNCCN(C)Cc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ AR P10275 11/20 0.53
▸ PARP1 P09874 1/20 0.51
▸ PRMT5 O14744 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ENPP1 P22413 1/20 0.47
▸ LMNA P02545 2/20 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
SCHEMBL6326508 0.85 POLB (0.75) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL6332361 0.81 POLB (0.65) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL11412658 0.79 POLB (1.00) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL5163309 0.74 POLB (0.72) POLBARPARP1PRMT5SMN1; SMN2
Hydrochloric Acid SCHEMBL6279576 0.73 POLB (0.70) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL16120047 0.72 HTR1D (0.39) POLBPRMT5
SCHEMBL16100261 0.71 HTR2C (0.42) PARP1LMNA
SCHEMBL16120045 0.71 TTK (0.39) —
SCHEMBL7462930 0.71 PRMT5 (0.68) POLBARPARP1PRMT5SMN1; SMN2
SCHEMBL30231202 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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