SCHEMBL9499313

SCHEMBL9499313

COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC40A1 Q9NP59 1/20 0.49
BRD4 O60885 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
SLC22A12 Q96S37 3/20 0.45
ACLY P53396 2/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9363458 0.87 ALDH1A1 (0.63) MEN1KMT2AALDH1A1BRD4CA1
SCHEMBL6541803 0.87 KMT2A (0.62) MEN1KMT2AALDH1A1SLC40A1BRD4
SCHEMBL22315383 0.83 ACLY (0.55) MEN1KMT2ASLC40A1BRD4CA1
SCHEMBL9500642 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1SLC22A12ACLY
SCHEMBL8126210 0.81 KMT2A (0.56) MEN1KMT2AALDH1A1SLC40A1BRD4
SCHEMBL9364368 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1SLC22A12ACLY
SCHEMBL9499823 0.80 TSHR (0.47) MEN1KMT2AALDH1A1SLC22A12MAPT
SCHEMBL9364281 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL9363397 0.80 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SLC22A12ACLY
SCHEMBL9321859 0.79 ACLY (0.49) KMT2AALDH1A1ACLYKCNH2TSHR

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
US-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed