SCHEMBL28970941

SCHEMBL28970941

O=C(O)C(CCNS(=O)(=O)c1ccccc1)Oc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TBXA2R P21731 3/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
TBXAS1 P24557 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL8559241 0.82 ALDH1A1 (0.50) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL11615405 0.70 CTRC (0.46) ALDH1A1TSHR
SCHEMBL2235887 0.70 ALDH1A1 (0.54) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13585322 0.70 ALDH1A1 (0.54) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL11121354 0.69 ALDH1A1 (0.53) LMNAALDH1A1TP53KDM4EPKM
Acetic Acid SCHEMBL27263112 0.68 LMNA (0.53) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL6564813 0.67 TDP1 (0.56) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL8349568 0.66 ALDH1A1 (0.79) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL6568086 0.66 ALDH1A1 (0.61) LMNAALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL8006814 0.66 MMP9 (0.65) LMNAALDH1A1KDM4EPKMSMN1; SMN2

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
CN-115666560-A Methods and pharmaceutical compositions for treating thromboxane A2 receptor antagonists of COVID-19 马丁·奥格特树 2023-01-31 CN disclosed