SCHEMBL25309819

SCHEMBL25309819

CS(=O)(=O)c1cnc(N2CC3CCC(C2)N3C(=O)CCCc2n[nH]c(=O)c3ccccc23)nc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.40
▸ PARP1 P09874 10/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL25308646 0.88 PARP1 (0.42) PARP1SMN1; SMN2ALDH1A1TNKSLMNA
SCHEMBL25307526 0.88 PARP1 (0.42) PARP1TNKSLMNA
SCHEMBL25312147 0.86 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2ATNKS
SCHEMBL30510776 0.86 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2ATNKS
SCHEMBL25309301 0.86 PARP1 (0.39) PARP1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25309986 0.85 PARP1 (0.48) PARP1SMN1; SMN2
SCHEMBL25310262 0.85 PARP1 (0.44) GPR119PARP1TNKSLMNA
SCHEMBL25311716 0.85 PARP1 (0.42) PARP1SMN1; SMN2ALDH1A1KMT2ATNKS
SCHEMBL25307848 0.83 PARP1 (0.38) PARP1SMN1; SMN2ALDH1A1KMT2ATNKS
SCHEMBL30510768 0.83 PARP1 (0.38) PARP1SMN1; SMN2ALDH1A1KMT2ATNKS

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