SCHEMBL25309613

SCHEMBL25309613

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(C(F)(F)F)nn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ PARP1 P09874 16/20 0.44
▸ PARP2 Q9UGN5 1/20 0.42
▸ TIPARP Q7Z3E1 1/20 0.41

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
SCHEMBL30510761 1.00 TNKS (0.47) TNKSKDM4EALDH1A1MAPTHPGD
SCHEMBL25310056 0.86 TNKS (0.49) TNKSKMT2APARP1PARP2TIPARP
SCHEMBL30510778 0.86 TNKS (0.49) TNKSKMT2APARP1PARP2TIPARP
SCHEMBL25308789 0.85 TNKS (0.51) TNKSKDM4EALDH1A1MAPTHPGD
SCHEMBL25307410 0.83 TNKS (0.55) TNKSKDM4EALDH1A1MAPTHPGD
SCHEMBL30510770 0.81 TNKS (0.51) TNKSKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL25309030 0.81 TIPARP (0.63) TNKSKMT2APARP1TIPARP
SCHEMBL25263299 0.80 TNKS (0.53) TNKSKDM4EMAPTHPGDHSD17B10
SCHEMBL25308938 0.79 TNKS (0.57) TNKSKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL25310638 0.79 ROCK2 (0.61) TNKSKDM4EALDH1A1MAPTKMT2A

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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