SCHEMBL9754563

SCHEMBL9754563

COC(=O)c1cccc(CC#N)c1S(=O)(=O)N[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL9522976 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL9754309 0.76 CA1 (0.38) KDM4ECA1CA2CA5ACA9
SCHEMBL9754367 0.75 KMT2A (0.39) KDM4ECA1CA2CA5ACA9
SCHEMBL21962916 0.74 CA1 (0.56) ALDH1A1HSD17B10CA1CA2CA5A
SCHEMBL21962920 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CA1CA2
SCHEMBL9522725 0.73 KDM4E (0.39) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2427784 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL29548152 0.72 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10POLBMEN1
SCHEMBL9522740 0.71 GAA (0.45) ALDH1A1MAPT
SCHEMBL22010547 0.70 SLC40A1 (0.46) ALDH1A1KDM4ECA1CA2CA5A

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-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 — — WO disclosed
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