SCHEMBL6229784

SCHEMBL6229784

Cc1[nH]c2cc(F)ccc2c(=O)c1[S@@+](C)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PTGS1 P23219 7/20 0.41
▸ PTGS2 P35354 7/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ FEN1 P39748 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CCNB2 O95067 1/20 0.38

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
SCHEMBL6224556 1.00 MEN1 (0.43) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL6227910 1.00 MEN1 (0.43) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL7323029 0.82 TP53 (0.50) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL7416834 0.79 SLC2A1 (0.48) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL9869279 0.79 KIF11 (0.47) MEN1KMT2AKDM4EPTGS1PTGS2
SCHEMBL7618084 0.78 HTT (0.53) MEN1KMT2AKDM4ESLC2A1TNKS2
SCHEMBL10481523 0.75 KDM4E (0.52) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL7159367 0.73 PTGS1 (0.46) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL6225217 0.73 LMNA (0.51) MEN1KMT2AKDM4EPARP1PTGS1
SCHEMBL11401420 0.72 GPR84 (0.45) KDM4EDAO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446120-A4 STEREOSPECIFIC ENRICHMENT OF HETEROCYCLIC ENANTIOMERS R T ALAMO VENTURES I LLC (US) 2005-01-26 — — EP disclosed
EP-1446120-A1 STEREOSPECIFIC ENRICHMENT OF HETEROCYCLIC ENANTIOMERS R.T. Alamo Ventures I, LLC (US) 2004-08-18 — — EP disclosed
WO-2003035071-A1 STEREOSPECIFIC ENRICHMENT OF HETEROCYCLIC ENANTIOMERS R.T. ALAMO VENTURES I, LLC (US) 2003-05-01 — — WO disclosed
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