SCHEMBL28244498

SCHEMBL28244498

O=C1NC(=O)c2cccc3cccc1c23.[Pt]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.95
▸ NPSR1 Q6W5P4 2/20 0.63
▸ ALDH1A1 P00352 4/20 0.58
▸ CES2 O00748 1/20 0.58
▸ BCHE P06276 1/20 0.58
▸ CES1 P23141 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ GSK3B P49841 1/20 0.56
▸ TYMS P04818 2/20 0.54
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ CASP7 P55210 4/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RGS12 O14924 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ THRB P10828 1/20 0.52

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
SCHEMBL57038 0.98 PARP1 (1.00) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL2487811 0.98 PARP1 (1.00) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL29255681 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL29038783 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL29157626 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL28640108 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL9681519 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL9413391 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
SCHEMBL29038784 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE
Hydrochloric Acid SCHEMBL5270956 0.95 PARP1 (0.95) PARP1NPSR1ALDH1A1CES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393483-B Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2021-09-10 — — CN claimed
CN-111393483-A Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2020-07-10 — — CN claimed
CN-116621900-B Tetravalent platinum aminohexose complex based on regulation and control of Mucin type O-glycosylation targeting CRPC and application thereof 河南大学 2024-05-07 — — CN disclosed
CN-116621900-A Tetravalent platinum aminohexose complex based on regulation and control of Mucin type O-glycosylation targeting CRPC and application thereof 河南大学 2023-08-22 — — CN disclosed
CN-111393483-B Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2021-09-10 — — CN disclosed
CN-111393483-B Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2021-09-10 — — CN disclosed
CN-111393483-B Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2021-09-10 — — CN disclosed
CN-111393483-A Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2020-07-10 — — CN disclosed
CN-111393483-A Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2020-07-10 — — CN disclosed
CN-111393483-A Tetravalent platinum naphthalimide complex, preparation method and application thereof 河南大学 2020-07-10 — — CN disclosed
CN-110041375-A Compound, preparation method and its application in preparation of anti-tumor drugs with asymmetric monosubstituted naphthalimide tetravalence platinum structure 聊城大学 2019-07-23 — — CN disclosed
CN-108623638-A 12- chloro benzimidazoles -1,8- naphthalimides-platinum complex and its preparation method and application 桂林医学院 2018-10-09 — — CN disclosed
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