SCHEMBL30510776

SCHEMBL30510776

C[S+]([O-])c1cnc(N2CC3CCC(C2)N3C(=O)CCCc2n[nH]c(=O)c3ccccc23)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 14/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TNKS O95271 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PARP6 Q2NL67 1/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ TIPARP Q7Z3E1 1/20 0.34
▸ PARP8 Q8N3A8 1/20 0.34
▸ PARP16 Q8N5Y8 1/20 0.34
▸ PARP12 Q9H0J9 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL25312147 1.00 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1TNKSKMT2A
SCHEMBL25307526 0.87 PARP1 (0.42) PARP1TNKSLMNAADORA1CDK6
SCHEMBL25308646 0.87 PARP1 (0.42) PARP1SMN1; SMN2ALDH1A1TNKSLMNA
SCHEMBL25309819 0.86 GPR119 (0.40) PARP1SMN1; SMN2ALDH1A1TNKSKMT2A
SCHEMBL25309301 0.85 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25311716 0.85 PARP1 (0.42) PARP1SMN1; SMN2ALDH1A1TNKSKMT2A
SCHEMBL25310262 0.85 PARP1 (0.44) PARP1TNKSLMNAPARP2
SCHEMBL25309986 0.85 PARP1 (0.48) PARP1SMN1; SMN2TIPARP
SCHEMBL25307848 0.82 PARP1 (0.38) PARP1SMN1; SMN2ALDH1A1TNKSKMT2A
SCHEMBL30510768 0.82 PARP1 (0.38) PARP1SMN1; SMN2ALDH1A1TNKSKMT2A

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
Send feedback