SCHEMBL27362161

SCHEMBL27362161

O=C(O)c1ccccc1Sc1ccc([NH+]([O-])O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.50
POLB P06746 5/20 0.49
NSD2 O96028 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27362055 0.84 SIRT1 (0.46) SIRT1POLBNSD2CA12CA1
SCHEMBL231042 0.81 SIRT1 (0.71) SIRT1POLBNSD2CA12CA1
SCHEMBL2024004 0.78 ALDH1A1 (0.59) SIRT1POLBNSD2CA12CA1
SCHEMBL6935437 0.78 SIRT1 (0.58) SIRT1POLBNSD2CA12CA1
SCHEMBL27362103 0.78 POLB (0.52) SIRT1POLBCA12CA1CA2
SCHEMBL8228023 0.77 SIRT1 (0.56) SIRT1POLBNSD2CA12CA1
SCHEMBL10482126 0.77 SIRT1 (0.56) SIRT1POLBNSD2CA12CA1
SCHEMBL8531499 0.77 SIRT1 (0.56) SIRT1POLBNSD2CA12CA1
SCHEMBL6781026 0.77 NPC1 (0.56) SIRT1POLBNSD2CA12CA1
SCHEMBL1775501 0.77 POLB (0.56) SIRT1POLBNSD2CA12CA1

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