SCHEMBL21036416

SCHEMBL21036416

CN1CCC[C@@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.69
PARP2 Q9UGN5 10/20 0.69
PARP3 Q9Y6F1 9/20 0.69
TNKS O95271 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM1 P11229 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1A P35348 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KCNH2 Q12809 1/20 0.69
DYRK1A Q13627 1/20 0.69
PARP15 Q460N3 1/20 0.69
PARP14 Q460N5 1/20 0.69
PARP10 Q53GL7 1/20 0.69
PARP12 Q9H0J9 1/20 0.69
TNKS2 Q9H2K2 1/20 0.69
PARP4 Q9UKK3 1/20 0.69
DYRK1B Q9Y463 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69

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
SCHEMBL21155200 0.88 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24950168 0.88 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL26159121 0.88 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL25938739 0.88 PARP1 (0.67) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL3660445 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24235609 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL16322554 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24301101 0.88 PARP1 (0.69) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL24950255 0.87 PARP1 (0.68) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL25938391 0.87 PARP1 (0.68) PARP1PARP2PARP3TNKSCHRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778590-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE ShanghaiTech University (CN) 2021-02-17 EP disclosed
WO-2019200367-A9 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-12-19 WO disclosed
WO-2019200367-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-17 WO disclosed
WO-2019196812-A1 PROTEIN DEGRADATION TARGETING COMPOUND, ANTI-TUMOR APPLICATION, INTERMEDIATE THEREOF AND USE OF INTERMEDIATE 上海科技大学 2019-10-17 WO disclosed
WO-2019136298-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES Cybrexa, Inc. (US) 2019-07-11 WO disclosed
WO-2019103050-A1 PROTEIN-BINDING DRUG 京都薬品工業株式会社 2019-05-31 WO disclosed