SCHEMBL30421007

SCHEMBL30421007

C=CCN(Nc1nc(SC)ncc1C(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 5/20 0.48
▸ FOS P01100 2/20 0.48
▸ JUN P05412 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20875531 1.00 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875448 0.89 SYK (0.57) SYKALDH1A1MAPTFOSJUN
SCHEMBL25827991 0.89 SYK (0.51) SYKALDH1A1MAPTFOSJUN
SCHEMBL25904913 0.87 SYK (0.55) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126549 0.86 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL20658731 0.85 ALDH1A1 (0.62) SYKALDH1A1MAPTFOSJUN
SCHEMBL23126623 0.85 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL30310811 0.85 SYK (0.52) SYKALDH1A1MAPTFOSJUN
SCHEMBL25031184 0.84 ALDH1A1 (0.57) SYKALDH1A1MAPTFOSJUN
SCHEMBL20875506 0.84 SYK (0.52) SYKALDH1A1MAPTFOSJUN

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-116813619-A Macrocyclic inhibitors of Wee1 南京正大天晴制药有限公司 2023-09-29 — — CN disclosed
CN-110872296-B dihydro-isoindole-1H-pyrazolo [3,4-d ] pyrimidinone compound, and preparation method and application thereof 上海弘翊生物科技有限公司 2023-05-23 — — CN disclosed
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