SCHEMBL25309540

SCHEMBL25309540

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1C2CCC1CN(c1ncc3cc[nH]c3n1)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.37
▸ PARP1 P09874 10/20 0.36
▸ TNKS O95271 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL25307848 0.90 PARP1 (0.38) PARP1TNKSSMN1; SMN2LMNAALDH1A1
SCHEMBL30510768 0.90 PARP1 (0.38) PARP1TNKSSMN1; SMN2LMNAALDH1A1
SCHEMBL25309922 0.88 PARP1 (0.38) PARP1TNKSSMN1; SMN2LMNAALDH1A1
SCHEMBL30510767 0.85 PARP1 (0.45) PARP1TNKSKMT2APARP2
SCHEMBL25308646 0.85 PARP1 (0.42) PARP1TNKSSMN1; SMN2LMNAALDH1A1
SCHEMBL25307526 0.85 PARP1 (0.42) PARP1TNKSLMNAPARP2
SCHEMBL25309301 0.83 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25310262 0.82 PARP1 (0.44) PARP1TNKSLMNAPARP2
SCHEMBL25311716 0.82 PARP1 (0.42) PARP1TNKSSMN1; SMN2LMNAALDH1A1
SCHEMBL25309986 0.82 PARP1 (0.48) PARP1SMN1; 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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