SCHEMBL6324300

SCHEMBL6324300

O=C(C1CCC1)N1CCCN(Cc2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 18/20 0.60
▸ TNKS O95271 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ CDK6 Q00534 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ PARP6 Q2NL67 1/20 0.54
▸ PARP15 Q460N3 1/20 0.54
▸ PARP14 Q460N5 1/20 0.54
▸ PARP10 Q53GL7 1/20 0.54
▸ TIPARP Q7Z3E1 1/20 0.54
▸ PARP8 Q8N3A8 1/20 0.54
▸ PARP16 Q8N5Y8 1/20 0.54
▸ PARP12 Q9H0J9 1/20 0.54
▸ TNKS2 Q9H2K2 1/20 0.54
▸ PARP11 Q9NR21 1/20 0.54
▸ PARP2 Q9UGN5 1/20 0.54
▸ PARP4 Q9UKK3 1/20 0.54
▸ PARP3 Q9Y6F1 1/20 0.54
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL6328650 0.82 PARP1 (0.57) PARP1
SCHEMBL25307211 0.76 PARP1 (0.56) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL8271262 0.74 PARP1 (0.74) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL22852727 0.73 PARP1 (0.98) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL11413405 0.72 PARP1 (0.70) PARP1PRMT5
SCHEMBL19569946 0.72 PARP1 (0.93) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL15918118 0.72 PARP1 (0.71) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL15917820 0.72 PARP1 (0.73) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL5160196 0.71 LMNA (0.57) PARP1PRMT5
SCHEMBL6327914 0.71 MAPT (0.56) PARP1TNKSTNKS2PARP2

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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