SCHEMBL9364281

SCHEMBL9364281

COC(=O)CC(NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
ACLY P53396 2/20 0.40
USP2 O75604 1/20 0.40
USP8 P40818 1/20 0.40
KCNA5 P22460 3/20 0.40
SLC22A12 Q96S37 3/20 0.39
MCL1 Q07820 2/20 0.39
MRGPRX1 Q96LB2 2/20 0.39
BCL2L1 Q07817 1/20 0.39
TSHR P16473 1/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KAT6A Q92794 1/20 0.37

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
SCHEMBL9500642 0.91 MEN1 (0.44) MEN1ALDH1A1KMT2AACLYUSP2
SCHEMBL9368611 0.85 SLC22A12 (0.55) SLC22A12CA12CA1CA2CA9
SCHEMBL9499823 0.84 TSHR (0.47) MEN1ALDH1A1KMT2AKCNA5SLC22A12
SCHEMBL9363379 0.83 KMT2A (0.41) MEN1ALDH1A1KMT2AKCNA5MCL1
SCHEMBL9363879 0.83 MEN1 (0.46) MEN1ALDH1A1KMT2AACLYKCNA5
SCHEMBL9363724 0.83 MEN1 (0.47) MEN1ALDH1A1KMT2AKCNA5SLC22A12
SCHEMBL9499692 0.81 TSHR (0.44) MEN1ALDH1A1KMT2AACLYKCNA5
SCHEMBL9364388 0.81 KMT2A (0.42) KMT2AMCL1MRGPRX1CA12CA1
SCHEMBL9364368 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2AACLYUSP2
SCHEMBL9499313 0.80 MEN1 (0.50) MEN1ALDH1A1KMT2AACLYSLC22A12

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
EP-0447013-B1 Fluorobenzene sulphonamides SCHERING AG (DE) 1994-08-03 EP disclosed
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed