SCHEMBL7188480

SCHEMBL7188480

O=C(O)c1cccc(NCCS(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.55
AKR1C3 P42330 2/20 0.54
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
SLC16A3 O15427 4/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KAT6A Q92794 1/20 0.45
F2 P00734 1/20 0.45

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
SCHEMBL7311403 0.78 AKR1C3 (0.85) AKR1C3ALDH1A1SLC16A3POLBMAPT
SCHEMBL31480233 0.76 AKR1C3 (0.55) AKR1C3ALDH1A1HTTCA12CA1
SCHEMBL7186113 0.75 ALDH1A1 (0.47) MRGPRX4AKR1C3ALDH1A1HTTKDM4E
SCHEMBL7076834 0.74 ALDH1A1 (0.65) MRGPRX4AKR1C3ALDH1A1HPGDMAPT
SCHEMBL3552787 0.71 SLC16A3 (0.74) MRGPRX4AKR1C3ALDH1A1HTTSLC16A3
SCHEMBL7826055 0.71 ALDH1A1 (0.68) ALDH1A1HTTKDM4EHPGD
SCHEMBL22480946 0.71 MRGPRX4 (1.00) MRGPRX4AKR1C3HTTKDM4ESLC16A3
SCHEMBL27635203 0.71 AKR1C3 (0.63) AKR1C3NPC1RAB9A
SCHEMBL8974969 0.70 AKR1C3 (0.53) MRGPRX4AKR1C3ALDH1A1SLC16A3POLB
SCHEMBL28395459 0.70 RECQL (0.62) ALDH1A1HTTKDM4EHPGDNPC1

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-6586256-B1 Analyte-binding and reporter moieties covalently attached to a framework including two trityl groups connected by a linear spacer such as ethyne or butadiyne; fluorescent signal THE PENN STATE RESEARCH FOUNDATION 2003-07-01 US disclosed