SCHEMBL25308789

SCHEMBL25308789

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ LMNA P02545 5/20 0.50
▸ TIPARP Q7Z3E1 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PARP1 P09874 2/20 0.49
▸ HTT P42858 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ IDE P14735 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMO Q99835 1/20 0.46

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
SCHEMBL25309030 0.89 TIPARP (0.63) TNKSTIPARPPARP1KMT2A
SCHEMBL25310056 0.88 TNKS (0.49) TNKSTIPARPPARP1CHRM1KMT2A
SCHEMBL30510778 0.88 TNKS (0.49) TNKSTIPARPPARP1CHRM1KMT2A
SCHEMBL30510770 0.87 TNKS (0.51) TNKSSMN1; SMN2ALDH1A1PARP1HTT
SCHEMBL25309796 0.86 TIPARP (0.67) TIPARPPARP1KMT2A
SCHEMBL25263299 0.86 TNKS (0.53) TNKSLMNATIPARPMAPTPARP1
SCHEMBL25309636 0.86 TIPARP (0.59) TNKSTIPARPPARP1KMT2A
SCHEMBL25308758 0.85 PARP1 (0.53) TNKSSMN1; SMN2TIPARPALDH1A1MAPT
SCHEMBL30510755 0.85 PARP1 (0.53) TNKSSMN1; SMN2TIPARPALDH1A1MAPT
SCHEMBL25309613 0.85 TNKS (0.47) TNKSSMN1; SMN2TIPARPALDH1A1MAPT

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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