SCHEMBL25308758

SCHEMBL25308758

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.53
▸ TIPARP Q7Z3E1 5/20 0.50
▸ TNKS O95271 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL30510755 1.00 PARP1 (0.53) PARP1TIPARPTNKSALDH1A1MEN1
SCHEMBL25310786 0.97 TIPARP (0.53) PARP1TIPARPTNKSALDH1A1MEN1
SCHEMBL30510774 0.97 TIPARP (0.53) PARP1TIPARPTNKSALDH1A1MEN1
SCHEMBL30510763 0.91 KMT2A (0.57) PARP1TIPARPALDH1A1MEN1MAPT
SCHEMBL25310442 0.91 KMT2A (0.57) PARP1TIPARPALDH1A1MEN1MAPT
SCHEMBL25311971 0.88 KMT2A (0.56) PARP1TIPARPALDH1A1MEN1MAPT
SCHEMBL30510757 0.88 KMT2A (0.56) PARP1TIPARPALDH1A1MEN1MAPT
SCHEMBL25309030 0.87 TIPARP (0.63) PARP1TIPARPTNKSKMT2A
SCHEMBL25306468 0.85 PARP1 (0.44) PARP1TIPARPTNKSMAPTSMN1; SMN2
SCHEMBL30510760 0.85 PARP1 (0.44) PARP1TIPARPTNKSMAPTSMN1; 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
Send feedback