SCHEMBL30510770

SCHEMBL30510770

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ CHRM1 P11229 1/20 0.45
▸ PARP1 P09874 13/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ PARP2 Q9UGN5 2/20 0.42
▸ ME2 P23368 2/20 0.41
▸ ME1 P48163 2/20 0.41
▸ ME3 Q16798 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL30510772 0.88 TNKS (0.51) TNKSSMN1; SMN2CHRM1PARP1KMT2A
SCHEMBL25308789 0.87 TNKS (0.51) TNKSSMN1; SMN2HTTCHRM1PARP1
SCHEMBL25263299 0.84 TNKS (0.53) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL30510778 0.83 TNKS (0.49) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25310056 0.83 TNKS (0.49) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25310532 0.82 PARP1 (0.62) TNKSPARP1PARP2
SCHEMBL30510761 0.81 TNKS (0.47) TNKSSMN1; SMN2PARP1KMT2APARP2
SCHEMBL25309613 0.81 TNKS (0.47) TNKSSMN1; SMN2PARP1KMT2APARP2
SCHEMBL25308938 0.80 TNKS (0.57) TNKSSMN1; SMN2CHRM1PARP1KMT2A
SCHEMBL25309030 0.80 TIPARP (0.63) TNKSPARP1KMT2A

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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