SCHEMBL30552860

SCHEMBL30552860

COc1ccc(OC)c2c1sc1nnc(NC(=O)C(C)(C)C)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP2 Q9UGN5 7/20 1.00
▸ TNKS2 Q9H2K2 4/20 0.65
▸ PARP15 Q460N3 3/20 0.65
▸ PARP10 Q53GL7 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ PARP6 Q2NL67 1/20 0.55
▸ PARP14 Q460N5 1/20 0.55
▸ TIPARP Q7Z3E1 1/20 0.55
▸ PARP16 Q8N5Y8 1/20 0.55
▸ PARP12 Q9H0J9 1/20 0.55
▸ PARP11 Q9NR21 1/20 0.55
▸ PARP4 Q9UKK3 1/20 0.55
▸ PARP3 Q9Y6F1 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 4/20 0.37

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
SCHEMBL25322173 1.00 PARP2 (1.00) PARP2TNKS2PARP15PARP10TNKS
SCHEMBL25323518 0.86 PARP2 (1.00) PARP2TNKS2PARP15PARP10TNKS
SCHEMBL25322731 0.72 PARP2 (1.00) PARP2TNKS2PARP15PARP10TNKS
SCHEMBL31052622 0.65 PARP2 (0.48) PARP2ALDH1A1IDO1TDO2MAPT
SCHEMBL30884726 0.64 PARP2 (0.46) PARP2ALDH1A1NPSR1IDO1TDO2
SCHEMBL3996134 0.62 PARP2 (0.45) PARP2ALDH1A1NPSR1IDO1TDO2
SCHEMBL3996113 0.62 PARP2 (0.45) PARP2ALDH1A1NPSR1IDO1TDO2
SCHEMBL30884722 0.62 PARP2 (0.45) PARP2ALDH1A1IDO1TDO2MAPT
SCHEMBL25325363 0.62 PARP2 (1.00) PARP2TNKS2PARP15PARP10TNKS
SCHEMBL25322921 0.62 PARP2 (1.00) PARP2TNKS2PARP15PARP10TNKS

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
EP-4469046-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS Oulun Yliopisto (FI) 2024-12-04 — — EP disclosed
WO-2023144450-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS OULUN YLIOPISTO (FI) 2023-08-03 — — WO disclosed
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