SCHEMBL30510772

SCHEMBL30510772

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.51
▸ CHRM1 P11229 1/20 0.45
▸ PARP1 P09874 12/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ PARP2 Q9UGN5 2/20 0.42
▸ ME2 P23368 3/20 0.41
▸ ME1 P48163 3/20 0.41
▸ ME3 Q16798 3/20 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
▸ SMN1; SMN2 Q16637 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
SCHEMBL25310192 0.90 PARP1 (0.46) TNKSPARP1KMT2APARP2TSHR
SCHEMBL30510770 0.88 TNKS (0.51) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25263299 0.84 TNKS (0.53) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25308789 0.83 TNKS (0.51) TNKSCHRM1PARP1KMT2AKDM4E
SCHEMBL25310532 0.82 PARP1 (0.62) TNKSPARP1PARP2
SCHEMBL25308938 0.80 TNKS (0.57) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL30510778 0.80 TNKS (0.49) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25310056 0.80 TNKS (0.49) TNKSCHRM1PARP1KMT2APARP2
SCHEMBL25307126 0.80 KMT2A (0.48) TNKSPARP1KMT2APARP2TSHR
SCHEMBL25309242 0.78 PARP1 (0.52) TNKSCHRM1PARP1KMT2ATSHR

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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