SCHEMBL19342158

SCHEMBL19342158

Cc1ccc2c(cc(C(=O)NCCN)n2C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
RXFP1 Q9HBX9 4/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL19344109 0.89 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19347345 0.81 PHGDH (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19332488 0.78 SLC9A1 (0.46) PHGDHKDM4EALDH1A1HSD17B10MAPT
SCHEMBL19343635 0.78 PHGDH (0.55) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19331035 0.77 RHEB (0.47) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19346013 0.77 PHGDH (0.41) PHGDH
SCHEMBL19331801 0.77 PHGDH (0.41) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19344152 0.76 PHGDH (0.53) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19331188 0.76 L3MBTL1 (0.51) PHGDHKDM4EALDH1A1HSD17B10HPGD
SCHEMBL25538844 0.75 PHGDH (0.57) PHGDHHSD17B10MAPTTP53SMN1; SMN2

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