SCHEMBL28803593

SCHEMBL28803593

O=C(NCc1ccc2ccccc2c1)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALOX12 P18054 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ TK2 O00142 1/20 0.48
▸ TYMS P04818 1/20 0.48

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
SCHEMBL17283457 0.89 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL15066132 0.89 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL15066131 0.89 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL17279676 0.89 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL18873431 0.89 TK1 (0.57) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL27093268 0.89 TYMS (0.54) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL27094655 0.87 TYMS (0.54) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL27093301 0.87 TK1 (0.51) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL16373946 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL22015702 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114703193-A Multiaptamer target detection 私募蛋白质体运营有限公司 2022-07-05 — — CN claimed
CN-109439664-B Aptamer binding to IL-6 and use thereof in the treatment or diagnosis of IL-6 mediated disorders 私募蛋白质体操作有限公司 2024-03-08 — — CN disclosed
CN-116367863-A Aptamer penetrating blood brain barrier and application thereof 适本科学株式会社 2023-06-30 — — CN disclosed
CN-114703193-A Multiaptamer target detection 私募蛋白质体运营有限公司 2022-07-05 — — CN disclosed
CN-107075518-B Nucleic acid compounds for binding to growth differentiation factor 11 私募蛋白质体公司 2021-03-09 — — CN disclosed
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