SCHEMBL25868326

SCHEMBL25868326

CCOC(=O)c1cn(S(=O)(=O)n2cnc(C(=O)OCC)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GABRA2 P47869 6/20 0.40
▸ GABRB2 P47870 6/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRB1 P18505 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA4 P48169 2/20 0.40
▸ GABRE P78334 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40

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
SCHEMBL9734881 0.85 NOTUM (0.45) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL5591480 0.78 NOTUM (0.52) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL25153647 0.77 NOTUM (0.51) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL4074477 0.75 NOTUM (0.50) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL12458255 0.74 NOTUM (0.49) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28934829 0.74 NOTUM (0.49) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL16268515 0.74 NOTUM (0.49) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL14151307 0.73 NOTUM (0.48) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28934757 0.73 NOTUM (0.48) NOTUMCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL24036185 0.73 NOTUM (0.48) NOTUMCYP1A2ALDH1A1KDM4EHPGD

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
WO-2023134691-A1 HIGH-VOLTAGE ELECTROLYTE AND BATTERY CONTAINING ELECTROLYTE 珠海冠宇电池股份有限公司 2023-07-20 — — WO disclosed
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