SCHEMBL29628649

SCHEMBL29628649

COC(=O)c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(S(=O)(=O)Cl)c1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.34
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ABL1 P00519 1/20 0.30
ACLY P53396 1/20 0.30
TSHR P16473 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
SCHEMBL19682333 0.80 TRPV4 (0.31) ATR
SCHEMBL22507760 0.71 RAB9A (0.32) KMT2A
SCHEMBL28759393 0.71 KDM4E (0.45) ATRCA1CA2CA5ACA9
SCHEMBL22519221 0.70 CYP46A1 (0.43) ATRCA1CA2CA9KDM4E
SCHEMBL15359766 0.70 CA12 (0.51) ATRCA1CA2CA9TSHR
SCHEMBL20872647 0.70 MEN1 (0.33) KMT2ACA1CA2CA9SMN1; SMN2
SCHEMBL18579613 0.69 GABRG2 (0.38) ATRKMT2ACA1CA2CA5A
SCHEMBL31056839 0.69 NR4A2 (0.42) ATRKMT2ACA1CA2CA9
SCHEMBL29326642 0.69 NR4A2 (0.42) ATRKMT2ACA1CA2CA9
SCHEMBL22507939 0.68 CFTR (0.51) ATR

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
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed