SCHEMBL25308925

SCHEMBL25308925

CCOC(=O)C(CCc1n[nH]c(=O)c2ccccc12)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TSHR P16473 1/20 0.51
▸ PARP1 P09874 7/20 0.49
▸ POLB P06746 2/20 0.48
▸ AR P10275 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL25309904 0.88 PARP1 (0.52) SMN1; SMN2ALDH1A1PARP1POLBAR
SCHEMBL25310305 0.74 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1TSHRPARP1POLB
SCHEMBL1859515 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNA
SCHEMBL29060217 0.72 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL9902801 0.72 L3MBTL1 (0.51) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL5010738 0.71 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1TSHRPARP1POLB
SCHEMBL25309821 0.71 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1TSHRPARP1POLB
SCHEMBL7317841 0.70 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL21575767 0.69 PRMT5 (0.64) SMN1; SMN2ALDH1A1TSHRPARP1POLB
SCHEMBL30231202 0.69 PRMT5 (0.68) SMN1; SMN2ALDH1A1TSHRPARP1POLB

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 1 patent. 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 disclosed
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