SCHEMBL20403535

SCHEMBL20403535

CNCC1NC(C(C)=O)CS1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ S1PR3 Q99500 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CPA1 P15085 1/20 0.30

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
SCHEMBL10107765 0.69 — —
SCHEMBL28632721 0.66 ALDH1A1 (0.40) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL13485762 0.64 ALDH1A1 (0.46) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL7322348 0.64 ALDH1A1 (0.46) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL12589591 0.64 ALDH1A1 (0.32) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL2031243 0.64 ALDH1A1 (0.69) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL30831375 0.64 ALDH1A1 (0.69) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL19282320 0.64 ALDH1A1 (0.69) ALDH1A1USP2GAAS1PR3KDM4E
SCHEMBL2031241 0.64 ALDH1A1 (0.69) ALDH1A1USP2GAAS1PR3KDM4E
Hydrochloric Acid SCHEMBL9059584 0.63 ALDH1A1 (0.67) ALDH1A1USP2GAAS1PR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768842-B1 METHOD FOR SYNTHESIZING PROTEINS CENTRE NAT RECH SCIENT (FR) 2018-07-25 — — EP disclosed
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