SCHEMBL25536653

SCHEMBL25536653

CCOC(=O)C(CC)c1ccc(CNC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 10/20 0.51
TP53 P04637 4/20 0.45
RXFP1 Q9HBX9 3/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 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
SCHEMBL19347388 0.90 PHGDH (0.47) PHGDHTP53RXFP1LMNATHRB
SCHEMBL25536810 0.88 PHGDH (0.50) PHGDHTP53RXFP1LMNATHRB
SCHEMBL25536747 0.86 PHGDH (0.49) PHGDHTP53RXFP1LMNA
SCHEMBL25536662 0.86 PHGDH (0.67) PHGDH
SCHEMBL20794776 0.85 PHGDH (0.61) PHGDH
SCHEMBL19347318 0.80 PHGDH (0.56) PHGDHTP53RXFP1LMNATHRB
SCHEMBL20794375 0.79 PHGDH (0.65) PHGDHTP53RXFP1LMNATHRB
SCHEMBL31008849 0.79 PHGDH (0.65) PHGDHTP53RXFP1LMNATHRB
SCHEMBL26326966 0.77 PHGDH (0.45) PHGDHTP53RXFP1LMNATHRB
SCHEMBL25538844 0.77 PHGDH (0.57) PHGDHTP53RXFP1THRBMAPT

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