SCHEMBL24110552

SCHEMBL24110552

CS(=O)(=O)CCNC(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRSS1 P07477 2/20 0.42
TPSAB1 Q15661 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
PLAU P00749 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL22833179 0.83 LMNA (0.48) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL24110551 0.81 PRSS1 (0.46) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL25306765 0.81 ALDH1A1 (0.43) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL20467627 0.81 HTT (0.53) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL13572586 0.80 TPSAB1 (0.39) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL25303252 0.78 PLAU (0.49) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL17072452 0.78 SMN1; SMN2 (0.44) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1
SCHEMBL30169875 0.78 MEN1 (0.41) LMNASMN1; SMN2PRSS1L3MBTL1MAPT
SCHEMBL16574772 0.77 ALB (0.44) LMNASMN1; SMN2L3MBTL1MAPTHTT
SCHEMBL16574796 0.76 ANPEP (0.45) LMNASMN1; SMN2PRSS1TPSAB1L3MBTL1

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-2021252708-A1 STABILIZED TRIOXACARCIN ANTIBODY DRUG CONJUGATES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-12-16 WO disclosed