SCHEMBL28896248

SCHEMBL28896248

CCOC(=O)c1[nH]cc(C=O)c1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ATR Q13535 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35

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
SCHEMBL28896549 0.85 KDM4E (0.40) IGF1RKDM4EALDH1A1HPGDATR
SCHEMBL28896192 0.82 KDM4E (0.39) IGF1RKDM4EALDH1A1HPGDATR
SCHEMBL28896742 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDATRMAPT
SCHEMBL28896497 0.79 GRM1 (0.36) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL28896296 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDATRMAPT
SCHEMBL3030787 0.74 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2APOLB
SCHEMBL18209663 0.73 PDE4D (0.45) IGF1RKDM4EALDH1A1HPGDATR
SCHEMBL8183538 0.72 ALOX15 (0.38) IGF1RKDM4EALDH1A1HPGDMAPT
SCHEMBL4393322 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL5432376 0.71 ATR (0.41) KDM4EALDH1A1ATRMAPTNPSR1

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
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed
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