SCHEMBL25535260

SCHEMBL25535260

CC(=O)N[S+]([O-])NCCCNC(=O)c1cc2c(Cl)c(Cl)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 14/20 0.44
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26326346 0.82 PHGDH (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347589 0.80 PHGDH (0.45) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347345 0.80 PHGDH (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19343635 0.79 PHGDH (0.55) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347346 0.79 PHGDH (0.49) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19344109 0.77 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19344152 0.77 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL25538844 0.77 PHGDH (0.57) PHGDHHSD17B10TP53SMN1; SMN2
SCHEMBL19347347 0.76 DRD2 (0.46) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347583 0.76 PHGDH (0.44) PHGDHKDM4EALDH1A1HSD17B10HPGD

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
EP-3426244-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-06-07 EP disclosed