SCHEMBL25308646

SCHEMBL25308646

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1C2CCC1CN(c1ncc(Cl)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TNKS O95271 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PARP6 Q2NL67 1/20 0.36
▸ PARP15 Q460N3 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ TIPARP Q7Z3E1 1/20 0.36
▸ PARP8 Q8N3A8 1/20 0.36
▸ PARP16 Q8N5Y8 1/20 0.36
▸ PARP12 Q9H0J9 1/20 0.36

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
SCHEMBL25307526 0.91 PARP1 (0.42) PARP1LMNATNKSADORA1CDK6
SCHEMBL25307141 0.89 HTR1A (0.43) PARP1BRD4LMNATDP1HTT
SCHEMBL30510773 0.89 HTR1A (0.43) PARP1BRD4LMNATDP1HTT
SCHEMBL25310262 0.89 PARP1 (0.44) PARP1LMNATNKSPARP2
SCHEMBL25311716 0.89 PARP1 (0.42) PARP1LMNATNKSALDH1A1SMN1; SMN2
SCHEMBL25309986 0.89 PARP1 (0.48) PARP1SMN1; SMN2TIPARP
SCHEMBL25309804 0.88 PARP1 (0.36) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL25309819 0.88 GPR119 (0.40) PARP1LMNATNKSALDH1A1SMN1; SMN2
SCHEMBL25309301 0.87 PARP1 (0.39) PARP1BRD4ALDH1A1SMN1; SMN2
SCHEMBL25312147 0.87 PARP1 (0.39) PARP1LMNATNKSALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO claimed
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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