SCHEMBL9700742

SCHEMBL9700742

COC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
FFAR4 Q5NUL3 1/20 0.48
ALOX5 P09917 5/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
FBP1 P09467 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
UBE2N P61088 1/20 0.41
MMP2 P08253 1/20 0.40
ANPEP P15144 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 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
SCHEMBL9400093 0.84 AKR1C3 (0.46) ALOX5KDM4EL3MBTL1LMNATSHR
SCHEMBL21807392 0.79 FBP1 (0.53) MEN1KMT2AFFAR4KDM4EL3MBTL1
SCHEMBL27958054 0.79 MEN1 (0.83) MEN1KMT2AALOX5KDM4EL3MBTL1
SCHEMBL28601407 0.79 MEN1 (0.47) MEN1KMT2AFFAR4ALOX5KDM4E
SCHEMBL1156189 0.76 KMT2A (0.47) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL21875183 0.75 FBP1 (0.49) MEN1KMT2AFFAR4KDM4EL3MBTL1
SCHEMBL10125216 0.75 POLB (0.45) MEN1KMT2AALOX5KDM4EL3MBTL1
SCHEMBL1156229 0.75 KMT2A (0.62) MEN1KMT2AFFAR4ALOX5KDM4E
SCHEMBL23219219 0.75 MEN1 (0.58) MEN1KMT2AALOX5KDM4EL3MBTL1
SCHEMBL22299930 0.75 KMT2A (0.39) MEN1KMT2AFFAR4KDM4ELMNA

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-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed