SCHEMBL19342000

SCHEMBL19342000

CNCN(CCNC(=O)c1cc2c(Cl)c(Cl)ccc2n1C)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 12/20 0.44
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 7/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 1/20 0.39
CREBBP Q92793 1/20 0.39
ATM Q13315 1/20 0.37
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
SCHEMBL19344152 0.84 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL26326346 0.82 PHGDH (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19344109 0.79 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19343635 0.79 PHGDH (0.55) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347345 0.77 PHGDH (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL25538844 0.77 PHGDH (0.57) PHGDHHSD17B10MAPTTP53SMN1; SMN2
SCHEMBL19347582 0.75 PHGDH (0.47) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347583 0.74 PHGDH (0.44) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347315 0.74 PHGDH (0.59) PHGDHHSD17B10
SCHEMBL19331955 0.74 PHGDH (0.54) 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
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed