SCHEMBL27362055

SCHEMBL27362055

O=C(O)c1ccccc1Sc1cccc([NH+]([O-])O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
APOBEC3A P31941 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
SCHEMBL27362161 0.84 SIRT1 (0.50) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL231042 0.78 SIRT1 (0.71) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL1447741 0.77 KDM4E (0.59) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL6934354 0.77 SIRT1 (0.53) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL11013368 0.76 SIRT1 (0.51) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL232529 0.76 MEN1 (0.53) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL8534213 0.76 SIRT1 (0.56) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL8530243 0.76 MEN1 (0.53) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL27362928 0.76 SIRT1 (0.56) SIRT1POLBKDM4ETDP1ALDH1A1
SCHEMBL26676266 0.76 SIRT1 (0.51) SIRT1POLBKDM4ETDP1ALDH1A1

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-2024035268-A2 TAU PATHWAY MODULATORS QATAR FOUNDATION FOR EDUCATION, SCIENCE AND COMMUNITY DEVELOPMENT (QA) 2024-02-15 WO disclosed