SCHEMBL10700976

SCHEMBL10700976

CCCCCCCCS(=O)(=O)[O-].CCO[n+]1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KCNH2 Q12809 6/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9623269 1.00 KDM4E (0.40) KDM4EALDH1A1RXFP1GAAHPGD
SCHEMBL9622389 0.99 KDM4E (0.41) KDM4EALDH1A1RXFP1GAAHPGD
SCHEMBL9622918 0.88 ALDH1A1 (0.41) KDM4EALDH1A1RXFP1GAAHPGD
SCHEMBL9622525 0.86 ALDH1A1 (0.42) KDM4EALDH1A1RXFP1GAAHPGD
SCHEMBL11058081 0.78 NPC1 (0.36) KDM4EALDH1A1LMNAMAPK1HTT
SCHEMBL2327075 0.78 NPC1 (0.39)
SCHEMBL9622988 0.77 HTT (0.42) KDM4EALDH1A1RXFP1HPGDPABPC1
SCHEMBL9623239 0.77 LMNA (0.43) KDM4EALDH1A1GAALMNAMAPK1
SCHEMBL9622709 0.76 PABPC1 (0.35) KDM4EALDH1A1RXFP1GAAHPGD
Bromide SCHEMBL9623049 0.76 NPC1 (0.42)

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
EP-0291880-A2 Photopolymerisable registration materials, photoresist layers, and lithographic-printing plates made therefrom BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed