SCHEMBL25307410

SCHEMBL25307410

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2cccnn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.55
▸ KMT2A Q03164 2/20 0.48
▸ PARP1 P09874 10/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL25308938 0.84 TNKS (0.57) TNKSKMT2APARP1ALDH1A1SMN1; SMN2
SCHEMBL25310638 0.84 ROCK2 (0.61) TNKSKMT2APARP1ALDH1A1KDM4E
SCHEMBL25309613 0.83 TNKS (0.47) TNKSKMT2APARP1ALDH1A1SMN1; SMN2
SCHEMBL30510761 0.83 TNKS (0.47) TNKSKMT2APARP1ALDH1A1SMN1; SMN2
SCHEMBL25263299 0.81 TNKS (0.53) TNKSKMT2APARP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL25310952 0.79 PARP1 (0.55) TNKSKMT2APARP1SMN1; SMN2PARP2
SCHEMBL25308789 0.79 TNKS (0.51) TNKSKMT2APARP1ALDH1A1SMN1; SMN2
SCHEMBL30510766 0.79 TNKS (0.49) TNKSKMT2APARP1MAPK1
SCHEMBL30510778 0.79 TNKS (0.49) TNKSKMT2APARP1PARP2CHRM1
SCHEMBL25307211 0.79 PARP1 (0.56) TNKSKMT2APARP1PARP2

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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