SCHEMBL27075331

SCHEMBL27075331

NNC(=O)C(S)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ GABRR1 P24046 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ FOLH1 Q04609 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA1 P00915 1/20 0.32

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
SCHEMBL24259829 0.78 SLC22A6 (0.43) LMNATDP1ALDH1A1MAPTPTGS2
SCHEMBL18818920 0.76 TDP1 (0.45) LMNATDP1ALDH1A1MAPTPTGS2
SCHEMBL27468494 0.73 HIF1A (0.42) LMNATDP1HIF1ASLC22A6GABRR1
SCHEMBL11414379 0.73 SMN1; SMN2 (0.52) LMNATDP1MAPTHIF1ASLC22A6
SCHEMBL3328326 0.73 — —
SCHEMBL5819782 0.73 HIF1A (0.42) LMNATDP1HIF1ASLC22A6GABRR1
SCHEMBL1372611 0.73 HIF1A (0.42) LMNATDP1HIF1ASLC22A6GABRR1
SCHEMBL26742365 0.73 ALDH1A1 (0.47) LMNATDP1ALDH1A1MAPTPTGS2
SCHEMBL21518545 0.72 — —
SCHEMBL13697033 0.71 HIF1A (0.40) LMNATDP1ALDH1A1MAPTPTGS2

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-20240036042-A1 CLICK CHEMISTRY AMPLIFIED NANOPORE ASSAY FOR ULTRASENSITIVE QUANTIFICATION OF PROTEINS NATIONAL SCIENCE FOUNDATION 2024-02-01 — — US disclosed
Send feedback