SCHEMBL9293530

SCHEMBL9293530

CC(=O)NC(CC=S)C(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GNPAT O15228 2/20 0.36
HIF1A Q16665 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL11732508 0.78 MAPT (0.57) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3166192 0.78 KDM4E (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL27610443 0.76 KDM4E (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL11108850 0.74 REN (0.40) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL11108853 0.74 REN (0.40) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL2992278 0.73 KDM4E (0.47) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL10609030 0.67 NOD1 (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13922716 0.67 KDM4E (0.39) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL19479440 0.66 HIF1A (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14967166 0.66 HIF1A (0.42) MAPTKDM4ETHRBALOX15NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276140-A Hydrazide, semicarbazide or thiosemicarbizide agents for linking aldehydes or sulfhydryl groups CETUS ONCOLOGY CORPORATION (US) 1994-01-04 US disclosed
US-5034514-A Agents for crosslinking aldehyde groups to sulfhydryl groups in immunoglobulins CETUS CORPORATION (US) 1991-07-23 US disclosed
US-4797491-A SPACERS; BIOCHEMICAL CETUS CORPORATION (US) 1989-01-10 US disclosed
EP-0240200-A2 Cross-linking agents, their use and preparation CETUS CORPORATION (US) 1987-10-07 EP disclosed