SCHEMBL10931578

SCHEMBL10931578

CCCC(=O)Nc1cc[nH]c(=O)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.46
▸ ADORA1 P30542 10/20 0.46
▸ ADORA2A P29274 7/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HTR1F P30939 1/20 0.44
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADORA2B P29275 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
SCHEMBL16774439 0.91 SMN1; SMN2 (0.51) ADORA3ADORA1HTR1FKDM4EALDH1A1
SCHEMBL11015102 0.89 NPC1 (0.51) ADORA3ADORA1HTR1FALDH1A1HPGD
SCHEMBL11018471 0.88 DEGS1 (0.53) HTR1FALDH1A1
SCHEMBL3626598 0.88 DEGS1 (0.53) HTR1FALDH1A1
SCHEMBL11016976 0.88 DEGS1 (0.53) HTR1FALDH1A1
SCHEMBL1334904 0.87 ADORA3 (0.43) ADORA3ADORA1ADORA2AHTR1FKDM4E
SCHEMBL1966349 0.86 SMN1; SMN2 (0.37) ADORA3ADORA1ADORA2AHTR1FALDH1A1
Ribose (Furanose) SCHEMBL11407593 0.83 PYGB (0.43) ADORA3ADORA1ADORA2AHTR1FCCNA2
SCHEMBL21219850 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGD
SCHEMBL13892050 0.79 PARP1 (0.51) ADORA1ADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447923-B Methyl nucleoside derivatives of 2 ' deoxidation, 2 ' fluorine 2 ' and preparation method thereof and the purposes in pharmacy 中国药科大学 2018-03-30 — — CN claimed
JP-60252493-A — — None — — JP disclosed
WO-2024250607-A1 CHEMICALLY MODIFIED CYTIDINE TRIPHOSPHATE AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院深圳先进技术研究院 2024-12-12 — — WO disclosed
WO-2024250923-A1 CHEMICALLY MODIFIED NUCLEOSIDE, CHEMICALLY MODIFIED NUCLEOSIDE TRIPHOSPHATE AND USE THEREOF 中国科学院深圳先进技术研究院 2024-12-12 — — WO disclosed
CN-119080855-A Chemically modified cytosine nucleoside triphosphate and preparation method and application thereof 中国科学院深圳先进技术研究院 2024-12-06 — — CN disclosed
CN-104447923-B Methyl nucleoside derivatives of 2 ' deoxidation, 2 ' fluorine 2 ' and preparation method thereof and the purposes in pharmacy 中国药科大学 2018-03-30 — — CN disclosed
JP-S60252493-A PREPARATION OF CYTIDINE DERIVATIVE TAKEDA CHEM IND LTD 1985-12-13 — — JP disclosed
EP-0136693-A2 Production of cytidine derivatives Takeda Chemical Industries, Ltd. (JP) 1985-04-10 — — EP disclosed
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