SCHEMBL25310523

SCHEMBL25310523

CS(=O)(=O)N1CCN(C(=O)CCCc2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ PARP1 P09874 12/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TNKS O95271 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43

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
Hydrochloric Acid SCHEMBL25310952 0.82 PARP1 (0.55) PARP1KMT2ATNKSLMNAPARP2
SCHEMBL25307211 0.82 PARP1 (0.56) PARP1KMT2ATNKSPARP2
SCHEMBL25309603 0.81 PARP1 (0.52) PARP1KMT2ATNKS
SCHEMBL25310638 0.81 ROCK2 (0.61) PARP1KMT2AALDH1A1TSHRTNKS
SCHEMBL25309242 0.80 PARP1 (0.52) PARP1KMT2ATSHRTNKS
Hydrochloric Acid SCHEMBL25309956 0.80 PARP1 (0.48) PARP1KMT2ATNKSLMNAPARP2
SCHEMBL25311711 0.79 KMT2A (0.48) PARP1KMT2ATSHRTNKSPARP2
SCHEMBL25308938 0.78 TNKS (0.57) PARP1KMT2AALDH1A1TSHRL3MBTL1
SCHEMBL25309530 0.77 PARP1 (0.48) PARP1KMT2AALDH1A1TNKSLMNA
SCHEMBL30510766 0.76 TNKS (0.49) PARP1KMT2ATNKSLMNAMAPK1

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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